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114007-23-7 | 4H-1-Benzopyran-3-carboxamide, 2-amino-4-oxo-6-propyl-
CAS No: 114007-23-7 Catalog No: AG000AAW MDL No:
Product Description
Catalog Number:
AG000AAW
Chemical Name:
4H-1-Benzopyran-3-carboxamide, 2-amino-4-oxo-6-propyl-
CAS Number:
114007-23-7
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
2-amino-4-oxo-6-propylchromene-3-carboxamide
InChI:
InChI=1S/C13H14N2O3/c1-2-3-7-4-5-9-8(6-7)11(16)10(12(14)17)13(15)18-9/h4-6H,2-3,15H2,1H3,(H2,14,17)
InChI Key:
YMQXMFJJSUFFGY-UHFFFAOYSA-N
SMILES:
CCCc1ccc2c(c1)c(=O)c(c(o2)N)C(=O)N
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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