COC1=CC=CC(=C1)C(=O)O
CAS: 586-38-9
Название: 3-methoxybenzoic acid
SMILES: COC1=CC=CC(=C1)C(=O)O

Molecular Processing

Molecular formula
C8H8O3
Molecular weight
152.15
Exact mass
152.0473
XLogP
1.39
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
39.95

Supplementary Information

InChIKey: XHQZJYCNDZAGLW-UHFFFAOYSA-N
Синонимы
3-METHOXYBENZOIC ACID586-38-9m-Anisic acidm-Methoxybenzoic acidBenzoic acid, 3-methoxy-3-Anisic acidE2I36FH6QZNSC-9264NSC-27014DTXSID2060410FEMA NO. 3944CHEBI:88458RefChem:94631DTXCID7042437209-574-9MFCD000024993-methoxy benzoic acid3-Methoxy-benzoic acidBENZOIC ACID,3-METHOXYWLN: QVR CO1m-Methylsalicylic acidNSC 9264EINECS 209-574-9NSC 27014UNII-E2I36FH6QZBRN 0508838AI3-24163m-Anisic-acidFEMA 3944OVM
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