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88472-01-9 | Cyclohexanone, 2-hydroxy-2-(1-methyl-1,2-propadienyl)-
CAS No: 88472-01-9 Catalog No: AG004C4U MDL No:
Product Description
Catalog Number:
AG004C4U
Chemical Name:
Cyclohexanone, 2-hydroxy-2-(1-methyl-1,2-propadienyl)-
CAS Number:
88472-01-9
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
2-buta-2,3-dien-2-yl-2-hydroxycyclohexan-1-one
InChI:
InChI=1S/C10H14O2/c1-3-8(2)10(12)7-5-4-6-9(10)11/h12H,1,4-7H2,2H3
InChI Key:
KCZLIZFEWQFJJU-UHFFFAOYSA-N
SMILES:
C=C=C(C1(O)CCCCC1=O)C
Properties
Complexity:
249
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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