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130575-22-3 | Propanedinitrile, 2-(2-buten-1-yl)-2-iodo-
CAS No: 130575-22-3 Catalog No: AG000UNS MDL No:
Product Description
Catalog Number:
AG000UNS
Chemical Name:
Propanedinitrile, 2-(2-buten-1-yl)-2-iodo-
CAS Number:
130575-22-3
Molecular Formula:
C7H7IN2
Molecular Weight:
246.0483
IUPAC Name:
2-but-1-enyl-2-iodopropanedinitrile
InChI:
InChI=1S/C7H7IN2/c1-2-3-4-7(8,5-9)6-10/h3-4H,2H2,1H3
InChI Key:
WQKCHUPUEQNXDQ-UHFFFAOYSA-N
SMILES:
CC=CCC(C#N)(C#N)I
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.965g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.051g/mol
Monoisotopic Mass:
245.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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