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Home > Other Heterocycles > 857633-15-9
857633-15-9 | 7-Oxabicyclo[4.1.0]hepta-2,4-diene-2-carbonitrile
CAS No: 857633-15-9 Catalog No: AG004Y7Q MDL No:
Product Description
Catalog Number:
AG004Y7Q
Chemical Name:
7-Oxabicyclo[4.1.0]hepta-2,4-diene-2-carbonitrile
CAS Number:
857633-15-9
Molecular Formula:
C7H5NO
Molecular Weight:
119.1207
IUPAC Name:
7-oxabicyclo[4.1.0]hepta-2,4-diene-2-carbonitrile
InChI:
InChI=1S/C7H5NO/c8-4-5-2-1-3-6-7(5)9-6/h1-3,6-7H
InChI Key:
GNFQBKOLHDJZIP-UHFFFAOYSA-N
SMILES:
O1C2C1C=CC=C2C#N
Properties
Complexity:
243
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:
0.4
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