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18144-55-3 | 2H-1-Benzopyran-2-one, 6-amino-3-(1-pyrrolidinylcarbonyl)-
CAS No: 18144-55-3 Catalog No: AG0022W4 MDL No:
Product Description
Catalog Number:
AG0022W4
Chemical Name:
2H-1-Benzopyran-2-one, 6-amino-3-(1-pyrrolidinylcarbonyl)-
CAS Number:
18144-55-3
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
IUPAC Name:
6-amino-3-(pyrrolidine-1-carbonyl)chromen-2-one
InChI:
InChI=1S/C14H14N2O3/c15-10-3-4-12-9(7-10)8-11(14(18)19-12)13(17)16-5-1-2-6-16/h3-4,7-8H,1-2,5-6,15H2
InChI Key:
JMMNFKYSQYCWBR-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)cc(c(=O)o2)C(=O)N1CCCC1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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