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1646-29-3 | 2-Benzofurancarboxylic acid, 5-amino-, methyl ester
CAS No: 1646-29-3 Catalog No: AG001UZA MDL No:MFCD07368331
Product Description
Catalog Number:
AG001UZA
Chemical Name:
2-Benzofurancarboxylic acid, 5-amino-, methyl ester
CAS Number:
1646-29-3
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD07368331
IUPAC Name:
methyl 5-amino-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C10H9NO3/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,11H2,1H3
InChI Key:
OLLMSIUDBMURHQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(o1)ccc(c2)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:
1.8
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