dicarboxy benzene-1,2-dicarboxylate

C10H6O8 — CID 57208478

IUPACdicarboxy benzene-1,2-dicarboxylate
SMILESO=C(O)OC(=O)c1ccccc1C(=O)OC(=O)O
InChIInChI=1S/C10H6O8/c11-7(17-9(13)14)5-3-1-2-4-6(5)8(12)18-10(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyUCKBLQCSYDMVJL-UHFFFAOYSA-N
MW254.15 g/mol
LogP1.36
Rot. Bonds2

About dicarboxy benzene-1,2-dicarboxylate

dicarboxy benzene-1,2-dicarboxylate (PubChem CID 57208478) has the molecular formula C10H6O8 and a molecular weight of 254.15 g/mol. Its IUPAC name is dicarboxy benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedicarboxy benzene-1,2-dicarboxylate
PubChem CID57208478
Molecular FormulaC10H6O8
Molecular Weight254.15 g/mol
Exact Mass254.01
IUPAC Namedicarboxy benzene-1,2-dicarboxylate
SMILESO=C(O)OC(=O)c1ccccc1C(=O)OC(=O)O
InChIInChI=1S/C10H6O8/c11-7(17-9(13)14)5-3-1-2-4-6(5)8(12)18-10(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyUCKBLQCSYDMVJL-UHFFFAOYSA-N
XLogP1.36
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dicarboxy benzene-1,2-dicarboxylate 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

calcium;carboxy 2-hydroxybenzoate;hydride
CID 173402978
4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid
CID 57485280
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
carboxy 4-methyl-2-phenylbenzoate
CID 87382013
bis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate
CID 16716661
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
carbonoperoxoic acid;phthalic acid
CID 87562877
carboxyoxycarbonyl 2-naphthalen-1-ylbenzoate
CID 174515658
5-[2-(4,5-dicarboxy-2-ethynoxycarbonylbenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzene-1,2,4-tricarboxylic acid
CID 90016896
calcium;2-(3-aminopropanoyloxycarbonyl)benzoic acid;hydride
CID 175163689
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038

Frequently Asked Questions

What is the IUPAC name of dicarboxy benzene-1,2-dicarboxylate?
The IUPAC name of dicarboxy benzene-1,2-dicarboxylate (CID 57208478) is dicarboxy benzene-1,2-dicarboxylate.
What is the SMILES notation for dicarboxy benzene-1,2-dicarboxylate?
The canonical SMILES for dicarboxy benzene-1,2-dicarboxylate is O=C(O)OC(=O)c1ccccc1C(=O)OC(=O)O.
What is the InChIKey of dicarboxy benzene-1,2-dicarboxylate?
The InChIKey is UCKBLQCSYDMVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O8/c11-7(17-9(13)14)5-3-1-2-4-6(5)8(12)18-10(15)16/h1-4H,(H,13,14)(H,15,16).
What are the key properties of dicarboxy benzene-1,2-dicarboxylate?
dicarboxy benzene-1,2-dicarboxylate has a molecular weight of 254.15 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicarboxy benzene-1,2-dicarboxylate is sourced from PubChem (CID 57208478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).