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114145-42-5 | 2H-1-Benzopyran-2-one, 7-(diethylamino)-4-(4-morpholinyl)-
CAS No: 114145-42-5 Catalog No: AG000AOM MDL No:
Product Description
Catalog Number:
AG000AOM
Chemical Name:
2H-1-Benzopyran-2-one, 7-(diethylamino)-4-(4-morpholinyl)-
CAS Number:
114145-42-5
Molecular Formula:
C17H22N2O3
Molecular Weight:
302.3682
IUPAC Name:
7-(diethylamino)-4-morpholin-4-ylchromen-2-one
InChI:
InChI=1S/C17H22N2O3/c1-3-18(4-2)13-5-6-14-15(19-7-9-21-10-8-19)12-17(20)22-16(14)11-13/h5-6,11-12H,3-4,7-10H2,1-2H3
InChI Key:
BGIJUZQSYSVYBN-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)oc(=O)cc2N1CCOCC1)CC
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.374g/mol
Monoisotopic Mass:
302.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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