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89768-71-8 | Benzo[j]phenanthridin-4(1H)-one, 2,3,5,6-tetrahydro-6,6-dimethyl-
CAS No: 89768-71-8 Catalog No: AG0040IU MDL No:
Product Description
Catalog Number:
AG0040IU
Chemical Name:
Benzo[j]phenanthridin-4(1H)-one, 2,3,5,6-tetrahydro-6,6-dimethyl-
CAS Number:
89768-71-8
Molecular Formula:
C19H19NO
Molecular Weight:
277.3603
IUPAC Name:
6,6-dimethyl-1,2,3,5-tetrahydrobenzo[j]phenanthridin-4-one
InChI:
InChI=1S/C19H19NO/c1-19(2)16-11-13-7-4-3-6-12(13)10-15(16)14-8-5-9-17(21)18(14)20-19/h3-4,6-7,10-11,20H,5,8-9H2,1-2H3
InChI Key:
GSKKRZFVQPNGTL-UHFFFAOYSA-N
SMILES:
O=C1CCCC2=C1NC(C)(C)c1c2cc2c(c1)cccc2
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.367g/mol
Monoisotopic Mass:
277.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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