2-hydroxybenzene-1,3-dicarboxylic acid;methane

C9H10O5 — CID 174853771

IUPAC2-hydroxybenzene-1,3-dicarboxylic acid;methane
SMILESC.O=C(O)c1cccc(C(=O)O)c1O
InChIInChI=1S/C8H6O5.CH4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13;/h1-3,9H,(H,10,11)(H,12,13);1H4
InChIKeyYITUCPWQLNUQSB-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.42
Rot. Bonds2

About 2-hydroxybenzene-1,3-dicarboxylic acid;methane

2-hydroxybenzene-1,3-dicarboxylic acid;methane (PubChem CID 174853771) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-hydroxybenzene-1,3-dicarboxylic acid;methane.

Molecular Properties

Compound Name2-hydroxybenzene-1,3-dicarboxylic acid;methane
PubChem CID174853771
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name2-hydroxybenzene-1,3-dicarboxylic acid;methane
SMILESC.O=C(O)c1cccc(C(=O)O)c1O
InChIInChI=1S/C8H6O5.CH4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13;/h1-3,9H,(H,10,11)(H,12,13);1H4
InChIKeyYITUCPWQLNUQSB-UHFFFAOYSA-N
XLogP1.42
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-prop-1-en-2-ylbenzoic acid
CID 11423898
CID 70118129
CID 70118129
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
3-bromo-2-hydroxybenzoic acid
CID 520927
(3-carboxy-2-hydroxyphenyl)azanium chloride
CID 84820764
carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
CID 66629599
2-hydroxy-3-phosphanyloxybenzoic acid
CID 58402798
2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid
CID 56991164
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
sodium;2,3-dihydroxyterephthalic acid;hydride
CID 175464540
benzene-1,2-diol;phthalic acid
CID 160861167
2-hydroxy-3-(2-phenylphenyl)benzoic acid
CID 67822406

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzene-1,3-dicarboxylic acid;methane?
The IUPAC name of 2-hydroxybenzene-1,3-dicarboxylic acid;methane (CID 174853771) is 2-hydroxybenzene-1,3-dicarboxylic acid;methane.
What is the SMILES notation for 2-hydroxybenzene-1,3-dicarboxylic acid;methane?
The canonical SMILES for 2-hydroxybenzene-1,3-dicarboxylic acid;methane is C.O=C(O)c1cccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxybenzene-1,3-dicarboxylic acid;methane?
The InChIKey is YITUCPWQLNUQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O5.CH4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13;/h1-3,9H,(H,10,11)(H,12,13);1H4.
What are the key properties of 2-hydroxybenzene-1,3-dicarboxylic acid;methane?
2-hydroxybenzene-1,3-dicarboxylic acid;methane has a molecular weight of 198.17 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzene-1,3-dicarboxylic acid;methane is sourced from PubChem (CID 174853771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).