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149466-67-1 | 7-Benzofurancarboxylic acid, 4-(acetylamino)-2,3-dihydro-, methyl ester
CAS No: 149466-67-1 Catalog No: AG001LQ6 MDL No:
Product Description
Catalog Number:
AG001LQ6
Chemical Name:
7-Benzofurancarboxylic acid, 4-(acetylamino)-2,3-dihydro-, methyl ester
CAS Number:
149466-67-1
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
methyl 4-acetamido-2,3-dihydro-1-benzofuran-7-carboxylate
InChI:
InChI=1S/C12H13NO4/c1-7(14)13-10-4-3-9(12(15)16-2)11-8(10)5-6-17-11/h3-4H,5-6H2,1-2H3,(H,13,14)
InChI Key:
YSESCRBYFIXFJX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1OCC2)NC(=O)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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