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115561-23-4 | 4(1H)-Phenanthrenone, 2,3,4a,9,10,10a-hexahydro-, cis- (9CI)
CAS No: 115561-23-4 Catalog No: AG000G5X MDL No:
Product Description
Catalog Number:
AG000G5X
Chemical Name:
4(1H)-Phenanthrenone, 2,3,4a,9,10,10a-hexahydro-, cis- (9CI)
CAS Number:
115561-23-4
Molecular Formula:
C14H16O
Molecular Weight:
200.2762
IUPAC Name:
2,3,4a,9,10,10a-hexahydro-1H-phenanthren-4-one
InChI:
InChI=1S/C14H16O/c15-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-2,4,6,11,14H,3,5,7-9H2
InChI Key:
OWRXYSNICSCIFZ-UHFFFAOYSA-N
SMILES:
O=C1CCC[C@@H]2[C@H]1c1ccccc1CC2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.12g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.281g/mol
Monoisotopic Mass:
200.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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