carbonic acid;2-methylbenzene-1,3-dicarboxylic acid

C10H10O7 — CID 174390462

IUPACcarbonic acid;2-methylbenzene-1,3-dicarboxylic acid
SMILESCc1c(C(=O)O)cccc1C(=O)O.O=C(O)O
InChIInChI=1S/C9H8O4.CH2O3/c1-5-6(8(10)11)3-2-4-7(5)9(12)13;2-1(3)4/h2-4H,1H3,(H,10,11)(H,12,13);(H2,2,3,4)
InChIKeyCAWMARZDARTOAE-UHFFFAOYSA-N
MW242.18 g/mol
LogP1.61
Rot. Bonds2

About carbonic acid;2-methylbenzene-1,3-dicarboxylic acid

carbonic acid;2-methylbenzene-1,3-dicarboxylic acid (PubChem CID 174390462) has the molecular formula C10H10O7 and a molecular weight of 242.18 g/mol. Its IUPAC name is carbonic acid;2-methylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Namecarbonic acid;2-methylbenzene-1,3-dicarboxylic acid
PubChem CID174390462
Molecular FormulaC10H10O7
Molecular Weight242.18 g/mol
Exact Mass242.04
IUPAC Namecarbonic acid;2-methylbenzene-1,3-dicarboxylic acid
SMILESCc1c(C(=O)O)cccc1C(=O)O.O=C(O)O
InChIInChI=1S/C9H8O4.CH2O3/c1-5-6(8(10)11)3-2-4-7(5)9(12)13;2-1(3)4/h2-4H,1H3,(H,10,11)(H,12,13);(H2,2,3,4)
InChIKeyCAWMARZDARTOAE-UHFFFAOYSA-N
XLogP1.61
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylbenzene-1,3-dicarboxylic acid;propan-2-ol
CID 175270418
bicyclo[1.1.0]butane;2-methylbenzene-1,3-dicarboxylic acid
CID 174778770
3-carbonochloridoyl-2-methylbenzoic acid
CID 89389383
3-(3-carboxy-2-methylphenyl)-2-methylbenzoic acid
CID 22140374
2-methylbenzene-1,3-dicarboxylic acid;bis(2-methylprop-2-enoic acid)
CID 174662181
1-chloropropane;2-methylbenzene-1,3-dicarboxylic acid
CID 174884619
2-methylbenzene-1,3-dicarboxylic acid;propane-1-thiol
CID 161282973
cyclobutanone;2-methylbenzene-1,3-dicarboxylic acid
CID 174422284
2-methylbenzene-1,3-dicarboxylic acid;tridecane
CID 161399193
2,3-dimethylterephthalic acid
CID 158313107
ethane-1,2-diol;2-methylbenzene-1,3-dicarboxylic acid;2-methylprop-2-enoic acid
CID 174724266
2-methylbenzene-1,3-dicarboxylic acid;(4-methylphenyl)-phenylmethanone
CID 174815281

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-methylbenzene-1,3-dicarboxylic acid?
The IUPAC name of carbonic acid;2-methylbenzene-1,3-dicarboxylic acid (CID 174390462) is carbonic acid;2-methylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for carbonic acid;2-methylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for carbonic acid;2-methylbenzene-1,3-dicarboxylic acid is Cc1c(C(=O)O)cccc1C(=O)O.O=C(O)O.
What is the InChIKey of carbonic acid;2-methylbenzene-1,3-dicarboxylic acid?
The InChIKey is CAWMARZDARTOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4.CH2O3/c1-5-6(8(10)11)3-2-4-7(5)9(12)13;2-1(3)4/h2-4H,1H3,(H,10,11)(H,12,13);(H2,2,3,4).
What are the key properties of carbonic acid;2-methylbenzene-1,3-dicarboxylic acid?
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid has a molecular weight of 242.18 g/mol, XLogP of 1.61, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-methylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 174390462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).