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151357-01-6 | 2-Oxepanone, 5-ethyl-, (5S)-
CAS No: 151357-01-6 Catalog No: AG001NAQ MDL No:
Product Description
Catalog Number:
AG001NAQ
Chemical Name:
2-Oxepanone, 5-ethyl-, (5S)-
CAS Number:
151357-01-6
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
(5S)-5-ethyloxepan-2-one
InChI:
InChI=1S/C8H14O2/c1-2-7-3-4-8(9)10-6-5-7/h7H,2-6H2,1H3/t7-/m0/s1
InChI Key:
NXXGFOJIOQXPDY-ZETCQYMHSA-N
SMILES:
CC[C@@H]1CCOC(=O)CC1
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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