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116415-15-7

116415-15-7 | 2-Butenenitrile, 4-bicyclo[2.2.1]hept-1-yl-4-oxo-, (E)- (9CI)

CAS No: 116415-15-7 Catalog No: AG000CFQ MDL No:

Product Description

Catalog Number:
AG000CFQ
Chemical Name:
2-Butenenitrile, 4-bicyclo[2.2.1]hept-1-yl-4-oxo-, (E)- (9CI)
CAS Number:
116415-15-7
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
4-(1-bicyclo[2.2.1]heptanyl)-4-oxobut-2-enenitrile
InChI:
InChI=1S/C11H13NO/c12-7-1-2-10(13)11-5-3-9(8-11)4-6-11/h1-2,9H,3-6,8H2
InChI Key:
FLPQUMUDIMOXTI-UHFFFAOYSA-N
SMILES:
N#C/C=C/C(=O)C12CCC(C2)CC1

Properties

Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.7  

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