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834905-95-2 | 2-Butanone, 3-cyclohexyl-4-hydroxy-3-methyl-
CAS No: 834905-95-2 Catalog No: AG004VHR MDL No:
Product Description
Catalog Number:
AG004VHR
Chemical Name:
2-Butanone, 3-cyclohexyl-4-hydroxy-3-methyl-
CAS Number:
834905-95-2
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
3-cyclohexyl-4-hydroxy-3-methylbutan-2-one
InChI:
InChI=1S/C11H20O2/c1-9(13)11(2,8-12)10-6-4-3-5-7-10/h10,12H,3-8H2,1-2H3
InChI Key:
ADMCJKZKXFSCHS-UHFFFAOYSA-N
SMILES:
OCC(C(=O)C)(C1CCCCC1)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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