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Home > Other Heterocycles > 72928-07-5
72928-07-5 | 2-Butenenitrile,3-bicyclo[2.2.1]hept-2-yl-
CAS No: 72928-07-5 Catalog No: AG005YTI MDL No:
Product Description
Catalog Number:
AG005YTI
Chemical Name:
2-Butenenitrile,3-bicyclo[2.2.1]hept-2-yl-
CAS Number:
72928-07-5
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
IUPAC Name:
3-(2-bicyclo[2.2.1]heptanyl)but-2-enenitrile
InChI:
InChI=1S/C11H15N/c1-8(4-5-12)11-7-9-2-3-10(11)6-9/h4,9-11H,2-3,6-7H2,1H3
InChI Key:
MABXILJZMXOERV-UHFFFAOYSA-N
SMILES:
N#CC=C(C1CC2CC1CC2)C
EC Number:
277-049-1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.248g/mol
Monoisotopic Mass:
161.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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