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102575-06-4 | 2(3H)-Oxepinone, 6,7-dihydro-
CAS No: 102575-06-4 Catalog No: AG0007T4 MDL No:
Product Description
Catalog Number:
AG0007T4
Chemical Name:
2(3H)-Oxepinone, 6,7-dihydro-
CAS Number:
102575-06-4
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
3,6-dihydro-2H-oxepin-7-one
InChI:
InChI=1S/C6H8O2/c7-6-4-2-1-3-5-8-6/h1-2H,3-5H2
InChI Key:
DCUJLXWTWGLTMA-UHFFFAOYSA-N
SMILES:
O=C1OCCC=CC1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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