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136327-78-1 | 3-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,2,4-trimethyl-
CAS No: 136327-78-1 Catalog No: AG0011N2 MDL No:
Product Description
Catalog Number:
AG0011N2
Chemical Name:
3-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,2,4-trimethyl-
CAS Number:
136327-78-1
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
3-(3-hydroxybutyl)-2,2,4-trimethylcyclohex-3-en-1-one
InChI:
InChI=1S/C13H22O2/c1-9-5-8-12(15)13(3,4)11(9)7-6-10(2)14/h10,14H,5-8H2,1-4H3
InChI Key:
GVYMZFBDJFNUSF-UHFFFAOYSA-N
SMILES:
CC(CCC1=C(C)CCC(=O)C1(C)C)O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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