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115510-47-9 | 2-Oxepanone, 7-propyl-, (7S)-
CAS No: 115510-47-9 Catalog No: AG000G43 MDL No:
Product Description
Catalog Number:
AG000G43
Chemical Name:
2-Oxepanone, 7-propyl-, (7S)-
CAS Number:
115510-47-9
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
7-propyloxepan-2-one
InChI:
InChI=1S/C9H16O2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3
InChI Key:
SGMOJKXWUUGPQJ-UHFFFAOYSA-N
SMILES:
CCC[C@H]1CCCCC(=O)O1
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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