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122999-66-0 | Cyclohexanone, 5-[(1R)-2-hydroxy-1-methylethyl]-2-methyl-, (2S,5S)-
CAS No: 122999-66-0 Catalog No: AG000JVM MDL No:
Product Description
Catalog Number:
AG000JVM
Chemical Name:
Cyclohexanone, 5-[(1R)-2-hydroxy-1-methylethyl]-2-methyl-, (2S,5S)-
CAS Number:
122999-66-0
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
5-(1-hydroxypropan-2-yl)-2-methylcyclohexan-1-one
InChI:
InChI=1S/C10H18O2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h7-9,11H,3-6H2,1-2H3
InChI Key:
WFKSHGVANXURPC-UHFFFAOYSA-N
SMILES:
OC[C@@H]([C@H]1CC[C@@H](C(=O)C1)C)C
Properties
Complexity:
165
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:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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