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19860-71-0 | 2-Octen-4-one, 2-methyl-
CAS No: 19860-71-0 Catalog No: AG002BNA MDL No:
Product Description
Catalog Number:
AG002BNA
Chemical Name:
2-Octen-4-one, 2-methyl-
CAS Number:
19860-71-0
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
2-methyloct-2-en-4-one
InChI:
InChI=1S/C9H16O/c1-4-5-6-9(10)7-8(2)3/h7H,4-6H2,1-3H3
InChI Key:
XKTQVJODAZKGGU-UHFFFAOYSA-N
SMILES:
CCCCC(=O)C=C(C)C
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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