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14129-48-7 | 4-Octen-3-one
CAS No: 14129-48-7 Catalog No: AG001G6M MDL No:
Product Description
Catalog Number:
AG001G6M
Chemical Name:
4-Octen-3-one
CAS Number:
14129-48-7
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
oct-4-en-3-one
InChI:
InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3
InChI Key:
JPTOCTSNXXKSSN-UHFFFAOYSA-N
SMILES:
CCCC=CC(=O)CC
FEMA Number:
4328
Properties
Complexity:
103
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:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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