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18144-56-4 | 2H-1-Benzopyran-2-one, 6-amino-3-(1-piperidinylcarbonyl)-
CAS No: 18144-56-4 Catalog No: AG0022W3 MDL No:
Product Description
Catalog Number:
AG0022W3
Chemical Name:
2H-1-Benzopyran-2-one, 6-amino-3-(1-piperidinylcarbonyl)-
CAS Number:
18144-56-4
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
IUPAC Name:
6-amino-3-(piperidine-1-carbonyl)chromen-2-one
InChI:
InChI=1S/C15H16N2O3/c16-11-4-5-13-10(8-11)9-12(15(19)20-13)14(18)17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7,16H2
InChI Key:
GKRHYIYUFVXEOY-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)cc(c(=O)o2)C(=O)N1CCCCC1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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