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2003-32-9 | 2-Propynenitrile, 3-iodo- (9CI)
CAS No: 2003-32-9 Catalog No: AG002CO5 MDL No:
Product Description
Catalog Number:
AG002CO5
Chemical Name:
2-Propynenitrile, 3-iodo- (9CI)
CAS Number:
2003-32-9
Molecular Formula:
C3IN
Molecular Weight:
176.9433
IUPAC Name:
3-iodoprop-2-ynenitrile
InChI:
InChI=1S/C3IN/c4-2-1-3-5
InChI Key:
MLKSRQZKJPGQQH-UHFFFAOYSA-N
SMILES:
IC#CC#N
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.908g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.944g/mol
Monoisotopic Mass:
176.908g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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