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144162-04-9 | 2-Oxepanone, ethenyl-
CAS No: 144162-04-9 Catalog No: AG001J1K MDL No:
Product Description
Catalog Number:
AG001J1K
Chemical Name:
2-Oxepanone, ethenyl-
CAS Number:
144162-04-9
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
3-ethenyloxepan-2-one
InChI:
InChI=1S/C8H12O2/c1-2-7-5-3-4-6-10-8(7)9/h2,7H,1,3-6H2
InChI Key:
KSLINXQJWRKPET-UHFFFAOYSA-N
SMILES:
C=CC1CCCCOC1=O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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