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81786-76-7 | 4-Hepten-2-one, 3,4,5,6,6-pentamethyl-, (Z)-
CAS No: 81786-76-7 Catalog No: AG005I1Q MDL No:
Product Description
Catalog Number:
AG005I1Q
Chemical Name:
4-Hepten-2-one, 3,4,5,6,6-pentamethyl-, (Z)-
CAS Number:
81786-76-7
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
3,4,5,6,6-pentamethylhept-4-en-2-one
InChI:
InChI=1S/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h9H,1-7H3
InChI Key:
AVYZWLQWDRNGGA-UHFFFAOYSA-N
SMILES:
CC(=O)C(/C(=C(\C(C)(C)C)/C)/C)C
Properties
Complexity:
228
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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