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834905-89-4 | 2-Pentanone, 3-cyclohexyl-1-hydroxy-3-methyl-
CAS No: 834905-89-4 Catalog No: AG004VHS MDL No:
Product Description
Catalog Number:
AG004VHS
Chemical Name:
2-Pentanone, 3-cyclohexyl-1-hydroxy-3-methyl-
CAS Number:
834905-89-4
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
3-cyclohexyl-1-hydroxy-3-methylpentan-2-one
InChI:
InChI=1S/C12H22O2/c1-3-12(2,11(14)9-13)10-7-5-4-6-8-10/h10,13H,3-9H2,1-2H3
InChI Key:
POPAHSYTBWEDBZ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)CO)(C1CCCCC1)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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