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Home > Other Heterocycles > 85391-86-2
85391-86-2 | 2-Propenenitrile,3-bicyclo[2.2.1]hept-5-en-2-yl-
CAS No: 85391-86-2 Catalog No: AG004OHJ MDL No:
Product Description
Catalog Number:
AG004OHJ
Chemical Name:
2-Propenenitrile,3-bicyclo[2.2.1]hept-5-en-2-yl-
CAS Number:
85391-86-2
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
IUPAC Name:
(E)-3-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enenitrile
InChI:
InChI=1S/C10H11N/c11-5-1-2-9-6-8-3-4-10(9)7-8/h1-4,8-10H,6-7H2/b2-1+
InChI Key:
BDMQXDGYXHJZEC-OWOJBTEDSA-N
SMILES:
C1C(C=CC#N)C2CC1C=C2
EC Number:
286-842-1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
145.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.205g/mol
Monoisotopic Mass:
145.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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