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Home > Other Heterocycles > 73654-30-5
73654-30-5 | 7-Oxabicyclo[4.1.0]hepta-2,4-diene-1-carbonitrile
CAS No: 73654-30-5 Catalog No: AG005XZA MDL No:
Product Description
Catalog Number:
AG005XZA
Chemical Name:
7-Oxabicyclo[4.1.0]hepta-2,4-diene-1-carbonitrile
CAS Number:
73654-30-5
Molecular Formula:
C7H5NO
Molecular Weight:
119.1207
IUPAC Name:
7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carbonitrile
InChI:
InChI=1S/C7H5NO/c8-5-7-4-2-1-3-6(7)9-7/h1-4,6H
InChI Key:
UQBILKXPUGBXQL-UHFFFAOYSA-N
SMILES:
N#CC12C=CC=CC2O1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.037g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.123g/mol
Monoisotopic Mass:
119.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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