azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid

C15H23Cr2N3O11 — CID 172697544

IUPACazane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid
SMILESN.N.N.O=C(O)c1ccccc1C(=O)OCc1ccccc1.O=[Cr](=O)(O)O[Cr](=O)(=O)O
InChIInChI=1S/C15H12O4.2Cr.3H3N.2H2O.5O/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11;;;;;;;;;;;;/h1-9H,10H2,(H,16,17);;;3*1H3;2*1H2;;;;;/q;2*+1;;;;;;;;;;/p-2
InChIKeyCNEKQQYADZNUOY-UHFFFAOYSA-L
MW525.35 g/mol
LogP1.57
Rot. Bonds6

About azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid

azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid (PubChem CID 172697544) has the molecular formula C15H23Cr2N3O11 and a molecular weight of 525.35 g/mol. Its IUPAC name is azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid.

Molecular Properties

Compound Nameazane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid
PubChem CID172697544
Molecular FormulaC15H23Cr2N3O11
Molecular Weight525.35 g/mol
Exact Mass525.01
IUPAC Nameazane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid
SMILESN.N.N.O=C(O)c1ccccc1C(=O)OCc1ccccc1.O=[Cr](=O)(O)O[Cr](=O)(=O)O
InChIInChI=1S/C15H12O4.2Cr.3H3N.2H2O.5O/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11;;;;;;;;;;;;/h1-9H,10H2,(H,16,17);;;3*1H3;2*1H2;;;;;/q;2*+1;;;;;;;;;;/p-2
InChIKeyCNEKQQYADZNUOY-UHFFFAOYSA-L
XLogP1.57
TPSA286.57 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500525.35
LogP ≤ 51.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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Related Compounds

5-hydroxy-2-phenylmethoxycarbonylbenzoic acid
CID 70424833
copper(1+);2-phenylmethoxycarbonylbenzoate
CID 158888431
2-phenylmethoxycarbonylterephthalic acid
CID 69248635
4-(3-carboxy-4-phenylmethoxycarbonylphenoxy)-2-phenylmethoxycarbonylbenzoic acid
CID 58500806
benzyl 2-(3-hydroxypropanoyl)benzoate
CID 164827518
1-O-benzyl 2-O-phosphono benzene-1,2-dicarboxylate
CID 57186966
benzyl 2-pyrrolidin-1-ylbenzoate
CID 168514928
bis(4-methylpentan-2-yl) benzene-1,2-dicarboxylate;dibenzyl benzene-1,2-dicarboxylate
CID 175392349
benzyl benzoate
CID 2345
dibenzyl 4-bromobenzene-1,2-dicarboxylate
CID 23134371
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
CID 4126924
benzyl 2,3-difluorobenzoate
CID 62867579

Frequently Asked Questions

What is the IUPAC name of azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid?
The IUPAC name of azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid (CID 172697544) is azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid.
What is the SMILES notation for azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid?
The canonical SMILES for azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid is N.N.N.O=C(O)c1ccccc1C(=O)OCc1ccccc1.O=[Cr](=O)(O)O[Cr](=O)(=O)O.
What is the InChIKey of azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid?
The InChIKey is CNEKQQYADZNUOY-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H12O4.2Cr.3H3N.2H2O.5O/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11;;;;;;;;;;;;/h1-9H,10H2,(H,16,17);;;3*1H3;2*1H2;;;;;/q;2*+1;;;;;;;;;;/p-2.
What are the key properties of azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid?
azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid has a molecular weight of 525.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid is sourced from PubChem (CID 172697544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).