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79749-51-2 | 2-Cyclohexen-1-one, 3-hydroxy-2,4,4-trimethyl-
CAS No: 79749-51-2 Catalog No: AG005HEI MDL No:
Product Description
Catalog Number:
AG005HEI
Chemical Name:
2-Cyclohexen-1-one, 3-hydroxy-2,4,4-trimethyl-
CAS Number:
79749-51-2
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
3-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C9H14O2/c1-6-7(10)4-5-9(2,3)8(6)11/h11H,4-5H2,1-3H3
InChI Key:
QJSYRLAUDBRZSG-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(=C1C)O)(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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