carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)

C17H18O9 — CID 66629599

IUPACcarbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
SMILESCc1cccc(C(=O)O)c1O.Cc1cccc(C(=O)O)c1O.O=C(O)O
InChIInChI=1S/2C8H8O3.CH2O3/c2*1-5-3-2-4-6(7(5)9)8(10)11;2-1(3)4/h2*2-4,9H,1H3,(H,10,11);(H2,2,3,4)
InChIKeyISRNHECSKVFLKL-UHFFFAOYSA-N
MW366.32 g/mol
LogP3.02
Rot. Bonds2

About carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)

carbonic acid;bis(2-hydroxy-3-methylbenzoic acid) (PubChem CID 66629599) has the molecular formula C17H18O9 and a molecular weight of 366.32 g/mol. Its IUPAC name is carbonic acid;bis(2-hydroxy-3-methylbenzoic acid).

Molecular Properties

Compound Namecarbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
PubChem CID66629599
Molecular FormulaC17H18O9
Molecular Weight366.32 g/mol
Exact Mass366.10
IUPAC Namecarbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
SMILESCc1cccc(C(=O)O)c1O.Cc1cccc(C(=O)O)c1O.O=C(O)O
InChIInChI=1S/2C8H8O3.CH2O3/c2*1-5-3-2-4-6(7(5)9)8(10)11;2-1(3)4/h2*2-4,9H,1H3,(H,10,11);(H2,2,3,4)
InChIKeyISRNHECSKVFLKL-UHFFFAOYSA-N
XLogP3.02
TPSA172.59 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.32
LogP ≤ 53.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Analyze carbonic acid;bis(2-hydroxy-3-methylbenzoic acid) 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

hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid
CID 56975164
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
1-(2,3-dimethylphenyl)-2-(2-hydroxy-3-methylphenyl)ethane-1,2-dione
CID 67422540
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
iron;2-methylbenzoic acid
CID 174483135
bis(2-methylbenzoic acid);hydrate
CID 69398343
ethane;2-fluoro-3-methylbenzoic acid
CID 145191844
azane;1-(2,3-dimethylphenyl)-2-(2-hydroxy-3-methylphenyl)ethane-1,2-dione
CID 67422539
3-methylbenzene-1,2-diol;oxalic acid
CID 174606670
2-amino-3-methylbenzoic acid;azane
CID 69400013

Frequently Asked Questions

What is the IUPAC name of carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)?
The IUPAC name of carbonic acid;bis(2-hydroxy-3-methylbenzoic acid) (CID 66629599) is carbonic acid;bis(2-hydroxy-3-methylbenzoic acid).
What is the SMILES notation for carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)?
The canonical SMILES for carbonic acid;bis(2-hydroxy-3-methylbenzoic acid) is Cc1cccc(C(=O)O)c1O.Cc1cccc(C(=O)O)c1O.O=C(O)O.
What is the InChIKey of carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)?
The InChIKey is ISRNHECSKVFLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8O3.CH2O3/c2*1-5-3-2-4-6(7(5)9)8(10)11;2-1(3)4/h2*2-4,9H,1H3,(H,10,11);(H2,2,3,4).
What are the key properties of carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)?
carbonic acid;bis(2-hydroxy-3-methylbenzoic acid) has a molecular weight of 366.32 g/mol, XLogP of 3.02, 2 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;bis(2-hydroxy-3-methylbenzoic acid) is sourced from PubChem (CID 66629599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).