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Home > Other Heterocycles > 53750-68-8
53750-68-8 | 7-Oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile
CAS No: 53750-68-8 Catalog No: AG01FL86 MDL No:
Product Description
Catalog Number:
AG01FL86
Chemical Name:
7-Oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile
CAS Number:
53750-68-8
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
IUPAC Name:
7-oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile
InChI:
InChI=1S/C7H7NO/c8-4-5-3-6-1-2-7(5)9-6/h1-2,5-7H,3H2
InChI Key:
AHQSHUPQQYFVER-UHFFFAOYSA-N
SMILES:
N#CC1CC2OC1C=C2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.053g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.139g/mol
Monoisotopic Mass:
121.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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