benzene-1,3-dicarboxylic acid;phosphane

C8H9O4P — CID 87088729

IUPACbenzene-1,3-dicarboxylic acid;phosphane
SMILESO=C(O)c1cccc(C(=O)O)c1.P
InChIInChI=1S/C8H6O4.H3P/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-4H,(H,9,10)(H,11,12);1H3
InChIKeyYCRQDOBXZIQZBM-UHFFFAOYSA-N
MW200.13 g/mol
LogP1.14
Rot. Bonds2

About benzene-1,3-dicarboxylic acid;phosphane

benzene-1,3-dicarboxylic acid;phosphane (PubChem CID 87088729) has the molecular formula C8H9O4P and a molecular weight of 200.13 g/mol. Its IUPAC name is benzene-1,3-dicarboxylic acid;phosphane.

Molecular Properties

Compound Namebenzene-1,3-dicarboxylic acid;phosphane
PubChem CID87088729
Molecular FormulaC8H9O4P
Molecular Weight200.13 g/mol
Exact Mass200.02
IUPAC Namebenzene-1,3-dicarboxylic acid;phosphane
SMILESO=C(O)c1cccc(C(=O)O)c1.P
InChIInChI=1S/C8H6O4.H3P/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-4H,(H,9,10)(H,11,12);1H3
InChIKeyYCRQDOBXZIQZBM-UHFFFAOYSA-N
XLogP1.14
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
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CID 175726263
CID 175726263
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
benzene-1,3-dicarboxylic acid;bis(oxovanadium)
CID 175058982
benzene-1,3-dicarboxylic acid;formaldehyde
CID 159467147
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793
3-(3-carboxybenzoyl)benzoic acid
CID 754396
benzene-1,3-dicarboxylic acid;dichlorotitanium
CID 22957310
3-carbamoylbenzoic acid
CID 3014284
CID 159629695
CID 159629695
3-[3-(3-carboxyphenyl)but-2-en-2-yl]benzoic acid
CID 123649222

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-dicarboxylic acid;phosphane?
The IUPAC name of benzene-1,3-dicarboxylic acid;phosphane (CID 87088729) is benzene-1,3-dicarboxylic acid;phosphane.
What is the SMILES notation for benzene-1,3-dicarboxylic acid;phosphane?
The canonical SMILES for benzene-1,3-dicarboxylic acid;phosphane is O=C(O)c1cccc(C(=O)O)c1.P.
What is the InChIKey of benzene-1,3-dicarboxylic acid;phosphane?
The InChIKey is YCRQDOBXZIQZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.H3P/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-4H,(H,9,10)(H,11,12);1H3.
What are the key properties of benzene-1,3-dicarboxylic acid;phosphane?
benzene-1,3-dicarboxylic acid;phosphane has a molecular weight of 200.13 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-dicarboxylic acid;phosphane is sourced from PubChem (CID 87088729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).