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119980-52-8 | Cyclohexanone, 2-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-
CAS No: 119980-52-8 Catalog No: AG000PYY MDL No:
Product Description
Catalog Number:
AG000PYY
Chemical Name:
Cyclohexanone, 2-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-
CAS Number:
119980-52-8
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
2-hydroxy-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-one
InChI:
InChI=1S/C10H18O3/c1-7-4-5-10(13,8(11)6-7)9(2,3)12/h7,12-13H,4-6H2,1-3H3
InChI Key:
XLMBNVAYUFZAML-UHFFFAOYSA-N
SMILES:
CC1CCC(C(=O)C1)(O)C(O)(C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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