CAS: 4518-10-9
Название: methyl 3-aminobenzoate
SMILES:
COC(=O)C1=CC(=CC=C1)NMolecular Processing
Molecular formula
C8H9NO2
Molecular weight
151.16
Exact mass
151.0633
XLogP
1.06
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
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
42.19
Supplementary Information
InChIKey: VZDNXXPBYLGWOS-UHFFFAOYSA-N
Синонимы
Methyl 3-aminobenzoateBenzoic acid, 3-amino-, methyl esterMethyl m-aminobenzoateMethyl-3-aminobenzoateMethyl-m-aminobenzoateDTXSID7063506EINECS 224-842-5AI3-03339RefChem:118392DTXCID0040389224-842-5InChI=1/C8H9NO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,9H2,1HVZDNXXPBYLGWOS-UHFFFAOYSA-N4518-10-93-Aminobenzoic Acid Methyl Ester3-Amino-benzoic acid methyl esterMFCD000171023-(Methoxycarbonyl)anilinem-aminobenzoic acid methyl esterm-Aminobenzoic acid, methyl ester(3-(Methoxycarbonyl)phenyl)amineaniline, 3-methoxycarbonyl-F9995-1223methyl3-aminobenzoatemethyl 3-amino-benzoate3-CarbomethoxyanilineMethyl(3-amino)benzoateNCIOpen2_0073933-amino-benzoicacimethylesterSCHEMBL134170
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