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88691-55-8 | 4-Undecen-2-one, 6-methyl-
CAS No: 88691-55-8 Catalog No: AG0047PM MDL No:
Product Description
Catalog Number:
AG0047PM
Chemical Name:
4-Undecen-2-one, 6-methyl-
CAS Number:
88691-55-8
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
6-methylundec-4-en-2-one
InChI:
InChI=1S/C12H22O/c1-4-5-6-8-11(2)9-7-10-12(3)13/h7,9,11H,4-6,8,10H2,1-3H3
InChI Key:
MXZXYJZLNTWXKA-UHFFFAOYSA-N
SMILES:
CCCCCC(C=CCC(=O)C)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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