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659-86-9 | 1-Propyne, 3-iodo-(9CI)
CAS No: 659-86-9 Catalog No: AG006LMQ MDL No:
Product Description
Catalog Number:
AG006LMQ
Chemical Name:
1-Propyne, 3-iodo-(9CI)
CAS Number:
659-86-9
Molecular Formula:
C3H3I
Molecular Weight:
165.9604
IUPAC Name:
3-iodoprop-1-yne
InChI:
InChI=1S/C3H3I/c1-2-3-4/h1H,3H2
InChI Key:
WGCICQJXVYFFCA-UHFFFAOYSA-N
SMILES:
ICC#C
NSC Number:
87534
Properties
Complexity:
38.5
Compound Is Canonicalized:
Yes
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:
1.5
Literature
| Title | Journal |
|---|---|
| Isomeric product distributions from the self-reaction of propargyl radicals. | The journal of physical chemistry. A 20050714 |
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