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89768-67-2 | 4(1H)-Phenanthridinone, 2,3,5,6-tetrahydro-6,6,8-trimethyl-
CAS No: 89768-67-2 Catalog No: AG003YOO MDL No:
Product Description
Catalog Number:
AG003YOO
Chemical Name:
4(1H)-Phenanthridinone, 2,3,5,6-tetrahydro-6,6,8-trimethyl-
CAS Number:
89768-67-2
Molecular Formula:
C16H19NO
Molecular Weight:
241.3282
IUPAC Name:
6,6,8-trimethyl-1,2,3,5-tetrahydrophenanthridin-4-one
InChI:
InChI=1S/C16H19NO/c1-10-7-8-11-12-5-4-6-14(18)15(12)17-16(2,3)13(11)9-10/h7-9,17H,4-6H2,1-3H3
InChI Key:
AQSLVQRAZIGWLV-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(C)(C)NC1=C2CCCC1=O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.334g/mol
Monoisotopic Mass:
241.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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