이름: [4-amino-3-(hydroxymethyl)phenyl] acetate
SMILES:
CC(=O)OC1=CC(=C(C=C1)N)COMolecular Processing
Molecular formula
C9H11NO3
Molecular weight
181.19
Exact mass
181.0739
XLogP
0.69
TPSA
72.55
H-bond donors
2
H-bond acceptors
4
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
1
Fraction Csp3
0.222
Molar refractivity
48.09
Supplementary Information
InChIKey: RZTCXAQBGONSFW-UHFFFAOYSA-N
동의어
SCHEMBL113294655-Acetoxy-2-aminobenzyl alcoholRZTCXAQBGONSFW-UHFFFAOYSA-N
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