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Home > Other Heterocycles > 141-40-2
141-40-2 | 7-Oxabicyclo[4.1.0]heptane-3-carbonitrile
CAS No: 141-40-2 Catalog No: AG001FQQ MDL No:
Product Description
Catalog Number:
AG001FQQ
Chemical Name:
7-Oxabicyclo[4.1.0]heptane-3-carbonitrile
CAS Number:
141-40-2
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
IUPAC Name:
7-oxabicyclo[4.1.0]heptane-3-carbonitrile
InChI:
InChI=1S/C7H9NO/c8-4-5-1-2-6-7(3-5)9-6/h5-7H,1-3H2
InChI Key:
MBOPNDFEIXMJOS-UHFFFAOYSA-N
SMILES:
N#CC1CCC2C(C1)O2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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