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26118-94-5 | 5-Hexen-2-one, 3,3-dimethyl-
CAS No: 26118-94-5 Catalog No: AG002RR0 MDL No:
Product Description
Catalog Number:
AG002RR0
Chemical Name:
5-Hexen-2-one, 3,3-dimethyl-
CAS Number:
26118-94-5
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
3,3-dimethylhex-5-en-2-one
InChI:
InChI=1S/C8H14O/c1-5-6-8(3,4)7(2)9/h5H,1,6H2,2-4H3
InChI Key:
AICKKCPBGSMRJG-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)C)(C)C
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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