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29197-96-4 | 2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-3-phenyl-
CAS No: 29197-96-4 Catalog No: AG002XNG MDL No:
Product Description
Catalog Number:
AG002XNG
Chemical Name:
2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-3-phenyl-
CAS Number:
29197-96-4
Molecular Formula:
C20H21NO2
Molecular Weight:
307.3862
IUPAC Name:
7-(diethylamino)-4-methyl-3-phenylchromen-2-one
InChI:
InChI=1S/C20H21NO2/c1-4-21(5-2)16-11-12-17-14(3)19(15-9-7-6-8-10-15)20(22)23-18(17)13-16/h6-13H,4-5H2,1-3H3
InChI Key:
PSJOSIPEKFFYKL-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)oc(=O)c(c2C)c1ccccc1)CC
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.157g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.393g/mol
Monoisotopic Mass:
307.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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