COC(=O)C1CC2=C(O1)C=CC(=C2)N
CAS: 575474-64-5
Nombre: methyl 5-amino-2,3-dihydro-1-benzofuran-2-carboxylate
SMILES: COC(=O)C1CC2=C(O1)C=CC(=C2)N

Molecular Processing

Molecular formula
C10H11NO3
Molecular weight
193.2
Exact mass
193.0739
XLogP
0.75
TPSA
61.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
50.99

Supplementary Information

InChIKey: MTHSIXHLSAHERM-UHFFFAOYSA-N
Sinónimos
Methyl 5-amino-2,3-dihydrobenzofuran-2-carboxylate575474-64-5METHYL 5-AMINO-2,3-DIHYDRO-1-BENZOFURAN-2-CARBOXYLATESCHEMBL655600MTHSIXHLSAHERM-UHFFFAOYSA-N5-amino-2,3dihydro-2-(methoxycarbonyl)benzofuranMethyl5-amino-2,3-dihydrobenzofuran-2-carboxylate5-amino-2,3-dihydro-2-(methoxycarbonyl)benzofuran(+/-)-5-amino-2,3-dihydro-2-methoxycarbonylbenzofuran
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