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115561-19-8 | 1(2H)-Anthracenone, 3,4,4a,9,9a,10-hexahydro-, (4aR,9aS)-rel-
CAS No: 115561-19-8 Catalog No: AG000G5Y MDL No:
Product Description
Catalog Number:
AG000G5Y
Chemical Name:
1(2H)-Anthracenone, 3,4,4a,9,9a,10-hexahydro-, (4aR,9aS)-rel-
CAS Number:
115561-19-8
Molecular Formula:
C14H16O
Molecular Weight:
200.2762
IUPAC Name:
3,4,4a,9,9a,10-hexahydro-2H-anthracen-1-one
InChI:
InChI=1S/C14H16O/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-2,4-5,12-13H,3,6-9H2
InChI Key:
DKDVPZWXJXTGTI-UHFFFAOYSA-N
SMILES:
O=C1CCC[C@H]2[C@@H]1Cc1ccccc1C2
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:
2.9
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