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88981-10-6 | 2(1H)-Naphthalenone, 4a-acetyloctahydro-, cis-
CAS No: 88981-10-6 Catalog No: AG0046IA MDL No:
Product Description
Catalog Number:
AG0046IA
Chemical Name:
2(1H)-Naphthalenone, 4a-acetyloctahydro-, cis-
CAS Number:
88981-10-6
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
4a-acetyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
InChI:
InChI=1S/C12H18O2/c1-9(13)12-6-3-2-4-10(12)8-11(14)5-7-12/h10H,2-8H2,1H3
InChI Key:
NIDXKSVIMUPJFB-UHFFFAOYSA-N
SMILES:
O=C1CC[C@]2([C@@H](C1)CCCC2)C(=O)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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