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26433-44-3 | 3-Oxatricyclo[4.2.1.02,5]nonane-4-carbonitrile (8CI,9CI)
CAS No: 26433-44-3 Catalog No: AG002T7H MDL No:
Product Description
Catalog Number:
AG002T7H
Chemical Name:
3-Oxatricyclo[4.2.1.02,5]nonane-4-carbonitrile (8CI,9CI)
CAS Number:
26433-44-3
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
IUPAC Name:
3-oxatricyclo[4.2.1.02,5]nonane-4-carbonitrile
InChI:
InChI=1S/C9H11NO/c10-4-7-8-5-1-2-6(3-5)9(8)11-7/h5-9H,1-3H2
InChI Key:
DZQKPBZSOBOFMM-UHFFFAOYSA-N
SMILES:
N#CC1OC2C1C1CCC2C1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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