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77022-99-2 | 2-Oxepincarboxaldehyde
CAS No: 77022-99-2 Catalog No: AG00573L MDL No:MFCD24680975
Product Description
Catalog Number:
AG00573L
Chemical Name:
2-Oxepincarboxaldehyde
CAS Number:
77022-99-2
Molecular Formula:
C7H6O2
Molecular Weight:
122.1213
MDL Number:
MFCD24680975
IUPAC Name:
oxepine-2-carbaldehyde
InChI:
InChI=1S/C7H6O2/c8-6-7-4-2-1-3-5-9-7/h1-6H
InChI Key:
KRGZIZSLKUDSMG-UHFFFAOYSA-N
SMILES:
O=CC1=CC=CC=CO1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.037g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.123g/mol
Monoisotopic Mass:
122.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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