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113779-17-2 | Ethanone, 1-(1,2,3,6,7,8,9,10,11,12-decahydrobenzo[e]pyren-4-yl)-
CAS No: 113779-17-2 Catalog No: AG0009N9 MDL No:
Product Description
Catalog Number:
AG0009N9
Chemical Name:
Ethanone, 1-(1,2,3,6,7,8,9,10,11,12-decahydrobenzo[e]pyren-4-yl)-
CAS Number:
113779-17-2
Molecular Formula:
C22H24O
Molecular Weight:
304.4254
IUPAC Name:
1-(1,2,3,6,7,8,9,10,11,12-decahydrobenzo[e]pyren-5-yl)ethanone
InChI:
InChI=1S/C22H24O/c1-13(23)20-12-14-6-4-9-17-15-7-2-3-8-16(15)18-10-5-11-19(20)22(18)21(14)17/h12H,2-11H2,1H3
InChI Key:
IQVBHHJMQFVWKQ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2CCCc3c2c2c1CCCc2c1c3CCCC1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.183g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.433g/mol
Monoisotopic Mass:
304.183g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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