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2-Methoxybenzoic acid

CAT: 0127-OR5344-01Size: 1 KgDry Ice: NoHazardous: No
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CAS Number
579-75-9
Synonyms
O-Anisic acid, 2-Carboxyanisole, o-Methylsalicylic acid
MDL Number
MFCD00002431
Purity
98%
Smiles
COc1ccccc1C(=O)O

Chemical Information

2-Methoxybenzoic acid

O-methylsalicylic acid is a methoxybenzoic acid that is the methyl ether of salicylic acid. It has a role as a non-steroidal anti-inflammatory drug and a flavouring agent. It is a conjugate acid of an O-methylsalicylate.

CAS Number579-75-9
PubChem CID11370
IUPAC Name2-methoxybenzoic acid
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP1.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
COC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey
ILUJQPXNXACGAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxybenzoic acid
CAS: 579-75-9
CID: 11370
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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