COC(=O)CC1=CC=C(C=C1)N
Name: methyl 2-(4-aminophenyl)acetate
SMILES: COC(=O)CC1=CC=C(C=C1)N

Molecular Processing

Molecular formula
C9H11NO2
Molecular weight
165.19
Exact mass
165.079
XLogP
0.98
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
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
0.222
Molar refractivity
46.57

Supplementary Information

InChIKey: TVIVLENJTXGRAM-UHFFFAOYSA-N
Synonyme
methyl 2-(4-aminophenyl)acetateRefChem:813462674-362-9methyl 4-aminophenylacetateMethyl-(4-aminophenyl)acetatemethyl (4-aminophenyl)acetatemethyl p-aminophenylacetateBenzeneacetic acid, 4-amino-, methyl esterMFCD06200783p-(Methoxycarbonylmethyl)anilineMethyl 4-aminobenzeneacetate; Methyl 4-aminophenylacetate; Methyl p-aminobenzeneacetate; Methyl p-aminophenylacetateBenzeneaceticacid, 4-amino-, methyl estermethyl-p-aminophenylacetatemethyl-4-aminophenylacetatemethyl p-aminophenyl acetatemethyl 4-aminophenyla-cetateMethyl(4-aminophenyl)acetatep-methoxycarbonylmethylanilinemethyl2-(4-aminophenyl)acetateSCHEMBL1161121SCHEMBL281983454-aminophenyl acetic acid methylesterAB7450SBB0590524-aminophenylacetic acid, methyl esterAKOS000111662PS-3073SB745364-amino-phenyl acetic acid methyl ester4-aminobenzeneacetic acid, methyl ester
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