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131544-22-4 | 2-Butanone, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS No: 131544-22-4 Catalog No: AG000ZDR MDL No:
Product Description
Catalog Number:
AG000ZDR
Chemical Name:
2-Butanone, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS Number:
131544-22-4
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-2-one
InChI:
InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,5-8H2,1-4H3
InChI Key:
KFZDTDKRRFEMEK-UHFFFAOYSA-N
SMILES:
OC1CC(=C(C(C1)(C)C)CCC(=O)C)C
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:
1.4
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