이름: Methyl 4-aminomethyl-2-hydroxybenzoate hydrochloride
SMILES:
COC(=O)c1ccc(CN)cc1O.ClMolecular Processing
Molecular formula
C9H12ClNO3
Molecular weight
217.65
Exact mass
217.0506
XLogP
1.06
TPSA
72.55
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.222
Molar refractivity
54.59
Supplementary Information
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