O=C([O-])c1ccccc1
CAS: 766-76-7
Name: benzoate
SMILES: O=C([O-])c1ccccc1

Molecular Processing

Molecular formula
C7H5O2-
Molecular weight
121.11
Exact mass
121.0295
XLogP
0.05
TPSA
40.13
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
30.77

Supplementary Information

InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-M
Synonyms
benzoatePhenylformateBenzeneformateBenzenemethanoatePhenylcarboxylateBenzenecarboxylateDTXSID4043771CHEBI:16150RefChem:327713DTXCID2023771766-76-7benzoate anionBenzoic acid, ion(1-)benzoic acid anionOracyclic acidRetarded BAbenzene-carboxylateBenzene formic acidGTPL4565BDBM36181NCGC00247905-01Q27075054
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Involved in 130 reactions→

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