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18776-20-0 | 3-Oxatricyclo[3.2.1.02,4]octane-6-carbonitrile (9CI)
CAS No: 18776-20-0 Catalog No: AG002GHG MDL No:MFCD24526320
Product Description
Catalog Number:
AG002GHG
Chemical Name:
3-Oxatricyclo[3.2.1.02,4]octane-6-carbonitrile (9CI)
CAS Number:
18776-20-0
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD24526320
IUPAC Name:
3-oxatricyclo[3.2.1.02,4]octane-6-carbonitrile
InChI:
InChI=1S/C8H9NO/c9-3-5-1-4-2-6(5)8-7(4)10-8/h4-8H,1-2H2
InChI Key:
OVMGDBGKKIIJRU-UHFFFAOYSA-N
SMILES:
N#CC1CC2CC1C1C2O1
NSC Number:
52584
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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