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28746-99-8 | [1,1'-Bicyclohexyl]-2-one, 1'-hydroxy-
CAS No: 28746-99-8 Catalog No: AG002WC3 MDL No:MFCD03837683
Product Description
Catalog Number:
AG002WC3
Chemical Name:
[1,1'-Bicyclohexyl]-2-one, 1'-hydroxy-
CAS Number:
28746-99-8
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
MDL Number:
MFCD03837683
IUPAC Name:
2-(1-hydroxycyclohexyl)cyclohexan-1-one
InChI:
InChI=1S/C12H20O2/c13-11-7-3-2-6-10(11)12(14)8-4-1-5-9-12/h10,14H,1-9H2
InChI Key:
AERVJOBGBMEFDV-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1C1(O)CCCCC1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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