benzene-1,3-dicarboxylic acid;formaldehyde

C9H8O5 — CID 159467147

IUPACbenzene-1,3-dicarboxylic acid;formaldehyde
SMILESC=O.O=C(O)c1cccc(C(=O)O)c1
InChIInChI=1S/C8H6O4.CH2O/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-2/h1-4H,(H,9,10)(H,11,12);1H2
InChIKeyLVIINJLPJRESHM-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.90
Rot. Bonds2

About benzene-1,3-dicarboxylic acid;formaldehyde

benzene-1,3-dicarboxylic acid;formaldehyde (PubChem CID 159467147) has the molecular formula C9H8O5 and a molecular weight of 196.16 g/mol. Its IUPAC name is benzene-1,3-dicarboxylic acid;formaldehyde.

Molecular Properties

Compound Namebenzene-1,3-dicarboxylic acid;formaldehyde
PubChem CID159467147
Molecular FormulaC9H8O5
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Namebenzene-1,3-dicarboxylic acid;formaldehyde
SMILESC=O.O=C(O)c1cccc(C(=O)O)c1
InChIInChI=1S/C8H6O4.CH2O/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-2/h1-4H,(H,9,10)(H,11,12);1H2
InChIKeyLVIINJLPJRESHM-UHFFFAOYSA-N
XLogP0.90
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzene-1,3-dicarboxylic acid;formaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
CID 139146863
CID 139146863
CID 175726263
CID 175726263
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
benzene-1,3-dicarboxylic acid;bis(oxovanadium)
CID 175058982
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-(1-fluoroethenyl)benzoic acid
CID 67591917
3-[3-(3-carboxyphenyl)but-2-en-2-yl]benzoic acid
CID 123649222
CID 159629695
CID 159629695

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-dicarboxylic acid;formaldehyde?
The IUPAC name of benzene-1,3-dicarboxylic acid;formaldehyde (CID 159467147) is benzene-1,3-dicarboxylic acid;formaldehyde.
What is the SMILES notation for benzene-1,3-dicarboxylic acid;formaldehyde?
The canonical SMILES for benzene-1,3-dicarboxylic acid;formaldehyde is C=O.O=C(O)c1cccc(C(=O)O)c1.
What is the InChIKey of benzene-1,3-dicarboxylic acid;formaldehyde?
The InChIKey is LVIINJLPJRESHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.CH2O/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-2/h1-4H,(H,9,10)(H,11,12);1H2.
What are the key properties of benzene-1,3-dicarboxylic acid;formaldehyde?
benzene-1,3-dicarboxylic acid;formaldehyde has a molecular weight of 196.16 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-dicarboxylic acid;formaldehyde is sourced from PubChem (CID 159467147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).