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2936-44-9 | 1,2-Propadiene, 1-iodo- (9CI)
CAS No: 2936-44-9 Catalog No: AG002Y5A MDL No:
Product Description
Catalog Number:
AG002Y5A
Chemical Name:
1,2-Propadiene, 1-iodo- (9CI)
CAS Number:
2936-44-9
Molecular Formula:
C3H3I
Molecular Weight:
165.9604
IUPAC Name:
1-iodopropa-1,2-diene
InChI:
InChI=1S/C3H3I/c1-2-3-4/h3H,1H2
InChI Key:
PVSOUHUQNFPYTI-UHFFFAOYSA-N
SMILES:
IC=C=C
Properties
Complexity:
41.2
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.928g/mol
Formal Charge:
0
Heavy Atom Count:
4
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.961g/mol
Monoisotopic Mass:
165.928g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| One-pot synthesis of alpha-iodo-substituted alpha,beta-unsaturated aldehydes from propargylic alcohols. | The Journal of organic chemistry 20070622 |
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