CC1=CC(=CC=C1)C(=O)O
CAS: 99-04-7
الاسم: 3-methylbenzoic acid
SMILES: CC1=CC(=CC=C1)C(=O)O

Molecular Processing

Molecular formula
C8H8O2
Molecular weight
136.15
Exact mass
136.0524
XLogP
1.69
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
38.14

Supplementary Information

InChIKey: GPSDUZXPYCFOSQ-UHFFFAOYSA-N
مرادفات
3-Methylbenzoic acidM-TOLUIC ACID99-04-7m-Toluylic acid3-Toluic acidBenzoic acid, 3-methyl-meta-Toluic acidm-Methylbenzoic acidbeta-Methylbenzoic acidbeta-Bethylbenzoic acidDTXSID10216171UA7K8EEXTNSC-2214DTXCID401617CHEBI:10589RefChem:800396202-723-93-Methyl-Benzoic AcidMFCD000025233-Methylbenzoic acid(Flakes or Chunks or Granular)beta-bethylbenzoate3-MethylbenzoicacidCAS-99-04-7NSC 2214EINECS 202-723-9UNII-1UA7K8EEXTBRN 0970526meta-toluatem-ToluylateAI3-15626
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