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115561-16-5 | 9(2H)-Anthracenone, 1,3,4,4a,9a,10-hexahydro-4a-methyl-, (4aR,9aS)-rel-
CAS No: 115561-16-5 Catalog No: AG000G5Z MDL No:
Product Description
Catalog Number:
AG000G5Z
Chemical Name:
9(2H)-Anthracenone, 1,3,4,4a,9a,10-hexahydro-4a-methyl-, (4aR,9aS)-rel-
CAS Number:
115561-16-5
Molecular Formula:
C15H18O
Molecular Weight:
214.3028
IUPAC Name:
4a-methyl-1,2,3,4,9a,10-hexahydroanthracen-9-one
InChI:
InChI=1S/C15H18O/c1-15-9-5-4-8-13(15)14(16)12-7-3-2-6-11(12)10-15/h2-3,6-7,13H,4-5,8-10H2,1H3
InChI Key:
FZABKEHIKXTJIY-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C[C@@]2([C@@H]1CCCC2)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.308g/mol
Monoisotopic Mass:
214.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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