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88264-36-2 | Cyclohexanone, 2-(1,1-dimethylethyl)-2-hydroxy-
CAS No: 88264-36-2 Catalog No: AG004AAN MDL No:
Product Description
Catalog Number:
AG004AAN
Chemical Name:
Cyclohexanone, 2-(1,1-dimethylethyl)-2-hydroxy-
CAS Number:
88264-36-2
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
2-tert-butyl-2-hydroxycyclohexan-1-one
InChI:
InChI=1S/C10H18O2/c1-9(2,3)10(12)7-5-4-6-8(10)11/h12H,4-7H2,1-3H3
InChI Key:
BCSLOYHSMUPWFD-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1(O)C(C)(C)C
Properties
Complexity:
191
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:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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