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19732-57-1 | 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS No: 19732-57-1 Catalog No: AG00IN7Q MDL No:MFCD00524746
Product Description
Catalog Number:
AG00IN7Q
Chemical Name:
2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Number:
19732-57-1
Molecular Formula:
C19H20N2O
Molecular Weight:
292.3749
MDL Number:
MFCD00524746
IUPAC Name:
2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
InChI:
InChI=1S/C19H20N2O/c1-12-14(11-20)17(13-7-5-4-6-8-13)18-15(21-12)9-19(2,3)10-16(18)22/h4-8,17,21H,9-10H2,1-3H3
InChI Key:
VLEZVELXWQAPHS-UHFFFAOYSA-N
SMILES:
N#CC1=C(C)NC2=C(C1c1ccccc1)C(=O)CC(C2)(C)C
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.382g/mol
Monoisotopic Mass:
292.158g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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