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24904-87-8 | 3(2H)-Phenanthrenone, 1,4,4a,9,10,10a-hexahydro-, (4aR,10aS)-rel-
CAS No: 24904-87-8 Catalog No: AG002PTT MDL No:
Product Description
Catalog Number:
AG002PTT
Chemical Name:
3(2H)-Phenanthrenone, 1,4,4a,9,10,10a-hexahydro-, (4aR,10aS)-rel-
CAS Number:
24904-87-8
Molecular Formula:
C14H16O
Molecular Weight:
200.2762
IUPAC Name:
(4aS,10aR)-2,4,4a,9,10,10a-hexahydro-1H-phenanthren-3-one
InChI:
InChI=1S/C14H16O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-4,11,14H,5-9H2/t11-,14+/m1/s1
InChI Key:
WKTBCMMWVPTNMK-RISCZKNCSA-N
SMILES:
O=C1CC[C@H]2[C@@H](C1)c1ccccc1CC2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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