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methyl 3-amino-1-benzofuran-2-carboxylate

methyl 3-amino-1-benzofuran-2-carboxylate

CAS: 57805-85-3

Formula: C10H9NO3

SMILES: COC(=O)C1=C(N)C2=CC=CC=C2O1

IUPAC: methyl 3-amino-1-benzofuran-2-carboxylate

InChI: InChI=1S/C10H9NO3/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5H,11H2,1H3

Composition: C (62.82%), H (4.75%), N (7.33%), O (25.10%)

Molar Mass: 191.186

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 191.058243154
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey OBUMBRZSVRGWFY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.5
Topological Polar Surface Area 65.46
Polarizability 20.27
Ring Count 2
Rotatable Bond Count 2

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