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18144-58-6

18144-58-6 | 2H-1-Benzopyran-2-one, 6-amino-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-

CAS No: 18144-58-6 Catalog No: AG0022W1 MDL No:

Product Description

Catalog Number:
AG0022W1
Chemical Name:
2H-1-Benzopyran-2-one, 6-amino-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-
CAS Number:
18144-58-6
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
IUPAC Name:
6-amino-3-(2-oxo-2-pyrrolidin-1-ylethyl)chromen-2-one
InChI:
InChI=1S/C15H16N2O3/c16-12-3-4-13-10(8-12)7-11(15(19)20-13)9-14(18)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6,9,16H2
InChI Key:
OFRNKOKLZFJGLM-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)Cc1cc2cc(N)ccc2oc1=O

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:
2  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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