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77023-20-2 | 7-Oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxaldehyde
CAS No: 77023-20-2 Catalog No: AG00573I MDL No:
Product Description
Catalog Number:
AG00573I
Chemical Name:
7-Oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxaldehyde
CAS Number:
77023-20-2
Molecular Formula:
C7H6O2
Molecular Weight:
122.1213
IUPAC Name:
7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carbaldehyde
InChI:
InChI=1S/C7H6O2/c8-5-7-4-2-1-3-6(7)9-7/h1-6H
InChI Key:
GWCJDSTYGLSKOH-UHFFFAOYSA-N
SMILES:
O=CC12C=CC=CC2O1
Properties
Complexity:
205
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:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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