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87044-37-9 | Cyclohexanone, 2,6-dihydroxy-2,6-dimethyl-
CAS No: 87044-37-9 Catalog No: AG004NJ7 MDL No:MFCD24704404
Product Description
Catalog Number:
AG004NJ7
Chemical Name:
Cyclohexanone, 2,6-dihydroxy-2,6-dimethyl-
CAS Number:
87044-37-9
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD24704404
IUPAC Name:
2,6-dihydroxy-2,6-dimethylcyclohexan-1-one
InChI:
InChI=1S/C8H14O3/c1-7(10)4-3-5-8(2,11)6(7)9/h10-11H,3-5H2,1-2H3
InChI Key:
QGTVNPGLZATKLE-UHFFFAOYSA-N
SMILES:
O=C1C(C)(O)CCCC1(C)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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