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119987-63-2 | Cyclohexanone, 3-butyl-4-(1-methylethyl)-
CAS No: 119987-63-2 Catalog No: AG000PZH MDL No:
Product Description
Catalog Number:
AG000PZH
Chemical Name:
Cyclohexanone, 3-butyl-4-(1-methylethyl)-
CAS Number:
119987-63-2
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
3-butyl-4-propan-2-ylcyclohexan-1-one
InChI:
InChI=1S/C13H24O/c1-4-5-6-11-9-12(14)7-8-13(11)10(2)3/h10-11,13H,4-9H2,1-3H3
InChI Key:
DVOVOIQPKZRTFP-UHFFFAOYSA-N
SMILES:
CCCCC1CC(=O)CCC1C(C)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.183g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.334g/mol
Monoisotopic Mass:
196.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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