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75961-78-3 | 7-Oxabicyclo[4.1.0]hept-3-ene-1-carboxaldehyde
CAS No: 75961-78-3 Catalog No: AG005GZ2 MDL No:
Product Description
Catalog Number:
AG005GZ2
Chemical Name:
7-Oxabicyclo[4.1.0]hept-3-ene-1-carboxaldehyde
CAS Number:
75961-78-3
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
IUPAC Name:
7-oxabicyclo[4.1.0]hept-3-ene-1-carbaldehyde
InChI:
InChI=1S/C7H8O2/c8-5-7-4-2-1-3-6(7)9-7/h1-2,5-6H,3-4H2
InChI Key:
GWRQHQCUFUBCKJ-UHFFFAOYSA-N
SMILES:
C1C=CCC2C1(O2)C=O
Properties
Complexity:
174
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:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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