Название: 3-aminomethyl-benzoic acid methyl ester hydrochloride salt
SMILES:
COC(=O)c1cccc(CN)c1.ClMolecular Processing
Molecular formula
C9H12ClNO2
Molecular weight
201.65
Exact mass
201.0557
XLogP
1.35
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.222
Molar refractivity
52.92
Supplementary Information
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