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762-47-0 | 6-Octen-3-one, 7-methyl-
CAS No: 762-47-0 Catalog No: AG005EKW MDL No:
Product Description
Catalog Number:
AG005EKW
Chemical Name:
6-Octen-3-one, 7-methyl-
CAS Number:
762-47-0
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
7-methyloct-6-en-3-one
InChI:
InChI=1S/C9H16O/c1-4-9(10)7-5-6-8(2)3/h6H,4-5,7H2,1-3H3
InChI Key:
HEFCEAOQAPBGKX-UHFFFAOYSA-N
SMILES:
CCC(=O)CCC=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:
2.3
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