2,3-dimethoxybenzoic acid;platinum;hydrate

C9H12O5Pt — CID 174478854

IUPAC2,3-dimethoxybenzoic acid;platinum;hydrate
SMILESCOc1cccc(C(=O)O)c1OC.O.[Pt]
InChIInChI=1S/C9H10O4.H2O.Pt/c1-12-7-5-3-4-6(9(10)11)8(7)13-2;;/h3-5H,1-2H3,(H,10,11);1H2;
InChIKeyXFSUSPRGHREGLT-UHFFFAOYSA-N
MW395.27 g/mol
LogP0.57
Rot. Bonds3

About 2,3-dimethoxybenzoic acid;platinum;hydrate

2,3-dimethoxybenzoic acid;platinum;hydrate (PubChem CID 174478854) has the molecular formula C9H12O5Pt and a molecular weight of 395.27 g/mol. Its IUPAC name is 2,3-dimethoxybenzoic acid;platinum;hydrate.

Molecular Properties

Compound Name2,3-dimethoxybenzoic acid;platinum;hydrate
PubChem CID174478854
Molecular FormulaC9H12O5Pt
Molecular Weight395.27 g/mol
Exact Mass395.03
IUPAC Name2,3-dimethoxybenzoic acid;platinum;hydrate
SMILESCOc1cccc(C(=O)O)c1OC.O.[Pt]
InChIInChI=1S/C9H10O4.H2O.Pt/c1-12-7-5-3-4-6(9(10)11)8(7)13-2;;/h3-5H,1-2H3,(H,10,11);1H2;
InChIKeyXFSUSPRGHREGLT-UHFFFAOYSA-N
XLogP0.57
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethoxybenzamide;hydrate
CID 141005510
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid
CID 117054066
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
2-methoxy-3-(2-methylpropoxy)benzoic acid
CID 82161609
3-butoxy-2-methoxybenzoic acid
CID 82161610
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027
3-methoxy-2-(2-methylprop-2-enoxy)benzoic acid
CID 61379741
CID 87085306
CID 87085306
3-amino-2-methoxybenzoic acid
CID 19849158
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxybenzoic acid;platinum;hydrate?
The IUPAC name of 2,3-dimethoxybenzoic acid;platinum;hydrate (CID 174478854) is 2,3-dimethoxybenzoic acid;platinum;hydrate.
What is the SMILES notation for 2,3-dimethoxybenzoic acid;platinum;hydrate?
The canonical SMILES for 2,3-dimethoxybenzoic acid;platinum;hydrate is COc1cccc(C(=O)O)c1OC.O.[Pt].
What is the InChIKey of 2,3-dimethoxybenzoic acid;platinum;hydrate?
The InChIKey is XFSUSPRGHREGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4.H2O.Pt/c1-12-7-5-3-4-6(9(10)11)8(7)13-2;;/h3-5H,1-2H3,(H,10,11);1H2;.
What are the key properties of 2,3-dimethoxybenzoic acid;platinum;hydrate?
2,3-dimethoxybenzoic acid;platinum;hydrate has a molecular weight of 395.27 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxybenzoic acid;platinum;hydrate is sourced from PubChem (CID 174478854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).