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89768-74-1 | 4(1H)-Phenanthridinone, 6-ethenyl-2,3,5,6-tetrahydro-8-methyl-
CAS No: 89768-74-1 Catalog No: AG003YOL MDL No:
Product Description
Catalog Number:
AG003YOL
Chemical Name:
4(1H)-Phenanthridinone, 6-ethenyl-2,3,5,6-tetrahydro-8-methyl-
CAS Number:
89768-74-1
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
IUPAC Name:
6-ethenyl-8-methyl-2,3,5,6-tetrahydro-1H-phenanthridin-4-one
InChI:
InChI=1S/C16H17NO/c1-3-14-13-9-10(2)7-8-11(13)12-5-4-6-15(18)16(12)17-14/h3,7-9,14,17H,1,4-6H2,2H3
InChI Key:
MRQDFMOKPYYUOQ-UHFFFAOYSA-N
SMILES:
C=CC1NC2=C(c3c1cc(C)cc3)CCCC2=O
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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