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143877-59-2 | 2-Butanone, 1-cyclohexyl-1-hydroxy-, (S)- (9CI)
CAS No: 143877-59-2 Catalog No: AG001IIO MDL No:
Product Description
Catalog Number:
AG001IIO
Chemical Name:
2-Butanone, 1-cyclohexyl-1-hydroxy-, (S)- (9CI)
CAS Number:
143877-59-2
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
1-cyclohexyl-1-hydroxybutan-2-one
InChI:
InChI=1S/C10H18O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h8,10,12H,2-7H2,1H3
InChI Key:
IRFFVYFFRRLKOF-UHFFFAOYSA-N
SMILES:
CCC(=O)[C@H](C1CCCCC1)O
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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