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Dodecanenitrile

CAS No.:
2437-25-4
Catalog Number:
AG003PVG
Molecular Formula:
C12H23N
Molecular Weight:
181.3177
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Product Description
Catalog Number:
AG003PVG
Chemical Name:
Dodecanenitrile
CAS Number:
2437-25-4
Molecular Formula:
C12H23N
Molecular Weight:
181.3177
MDL Number:
MFCD00001946
IUPAC Name:
dodecanenitrile
InChI:
InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3
InChI Key:
VXCUURYYWGCLIH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC#N
EC Number:
219-440-1
UNII:
TL45I6761P
NSC Number:
1804
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.183g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.323g/mol
Monoisotopic Mass:
181.183g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties