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20483-36-7 | 2-Butanone, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
CAS No: 20483-36-7 Catalog No: AG0029QI MDL No:
Product Description
Catalog Number:
AG0029QI
Chemical Name:
2-Butanone, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
CAS Number:
20483-36-7
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-one
InChI:
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3
InChI Key:
SQFRYZPEWOZAKJ-UHFFFAOYSA-N
SMILES:
CC(=O)CCC1=C(C)C=CCC1(C)C
EC Number:
243-847-3
UNII:
XZS4VD987O
FEMA Number:
3447
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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