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Home > Aldehydes > 113627-72-8
113627-72-8 | 4-Oxepincarboxaldehyde, 4,5-dihydro-
CAS No: 113627-72-8 Catalog No: AG00095T MDL No:
Product Description
Catalog Number:
AG00095T
Chemical Name:
4-Oxepincarboxaldehyde, 4,5-dihydro-
CAS Number:
113627-72-8
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
IUPAC Name:
4,5-dihydrooxepine-4-carbaldehyde
InChI:
InChI=1S/C7H8O2/c8-6-7-2-1-4-9-5-3-7/h1,3-7H,2H2
InChI Key:
GDVJGIAIBYHTBD-UHFFFAOYSA-N
SMILES:
O=CC1C=COC=CC1
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.052g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.139g/mol
Monoisotopic Mass:
124.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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