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651026-53-8 | 2(1H)-Quinolinone, 6-acetyl-1-heptyl-3,4-dihydro-4,4-dimethyl-
CAS No: 651026-53-8 Catalog No: AG006SWE MDL No:
Product Description
Catalog Number:
AG006SWE
Chemical Name:
2(1H)-Quinolinone, 6-acetyl-1-heptyl-3,4-dihydro-4,4-dimethyl-
CAS Number:
651026-53-8
Molecular Formula:
C20H29NO2
Molecular Weight:
315.4498
IUPAC Name:
6-acetyl-1-heptyl-4,4-dimethyl-3H-quinolin-2-one
InChI:
InChI=1S/C20H29NO2/c1-5-6-7-8-9-12-21-18-11-10-16(15(2)22)13-17(18)20(3,4)14-19(21)23/h10-11,13H,5-9,12,14H2,1-4H3
InChI Key:
KBNYHSUVFVLCTA-UHFFFAOYSA-N
SMILES:
CCCCCCCN1C(=O)CC(c2c1ccc(c2)C(=O)C)(C)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.22g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.457g/mol
Monoisotopic Mass:
315.22g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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