3-Methoxy-5-(methoxycarbonyl)benzoic acid

HCID 11020136

Notes Reactions

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Basic information

Standard SMILES: COC(=O)c1cc(OC)cc(C(=O)O)c1
InChIKey: PMYOJVWSJTZGDJ-UHFFFAOYSA-N
Molecular formula: C10H10O5
Average molar mass: 210.18 g/mol
Monoisotopic mass: 210.05282342

Names & identifiers

Preferred name: 3-Methoxy-5-(methoxycarbonyl)benzoic acid
IUPAC: 3-methoxy-5-methoxycarbonylbenzoic acid

Names & synonyms

3-METHOXY-5-(METHOXYCARBONYL)BENZOIC ACID71590-08-4Methyl 5-methoxy-isophthalateMFCD038407463-methoxy-5-methoxycarbonylbenzoic acid5-methoxy-isophthalic acid monomethyl ester1,3-Benzenedicarboxylic acid, 5-methoxy-, 1-methyl ester3-methoxy-5-methoxycarbonyl-benzoic Acid3-METHOXYCARBONYL-5-METHOXYBENZOIC ACIDSCHEMBL56890PMYOJVWSJTZGDJ-UHFFFAOYSA-NAKOS015960827

Show more names

5-methoxyisophthalic acid monomethyl esterAC-12330BS-17400SY026766CS-0097862EN300-767921F11490F313236

Database identifiers

PubChem CID: 11020136

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 250

Related reactions

5 records

New reaction record

HRID 197289As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 502426As reactantuspto-grants-2010_08

HRID 699144As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1152007As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1791343As productuspto-grants-2006_07

Compound notes

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