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157252-27-2 | 4-Benzofurancarboxylic acid, 7-amino-, methyl ester
CAS No: 157252-27-2 Catalog No: AG001PBE MDL No:
Product Description
Catalog Number:
AG001PBE
Chemical Name:
4-Benzofurancarboxylic acid, 7-amino-, methyl ester
CAS Number:
157252-27-2
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
IUPAC Name:
methyl 7-amino-1-benzofuran-4-carboxylate
InChI:
InChI=1S/C10H9NO3/c1-13-10(12)7-2-3-8(11)9-6(7)4-5-14-9/h2-5H,11H2,1H3
InChI Key:
AXLFATUIQRTAEH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1cco2)N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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