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122921-39-5 | 3,6-Dioxatetracyclo[6.1.0.02,4.05,7]nonane-9-carbonitrile (9CI)
CAS No: 122921-39-5 Catalog No: AG000JSQ MDL No:
Product Description
Catalog Number:
AG000JSQ
Chemical Name:
3,6-Dioxatetracyclo[6.1.0.02,4.05,7]nonane-9-carbonitrile (9CI)
CAS Number:
122921-39-5
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
IUPAC Name:
3,6-dioxatetracyclo[6.1.0.02,4.05,7]nonane-9-carbonitrile
InChI:
InChI=1S/C8H7NO2/c9-1-2-3-4(2)6-8(11-6)7-5(3)10-7/h2-8H
InChI Key:
SHUWKJVPELFLPQ-UHFFFAOYSA-N
SMILES:
N#CC1C2C1C1OC1C1C2O1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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