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72610-28-7 | 1,2-Propadiene, 1-iodo-1-methoxy-
CAS No: 72610-28-7 Catalog No: AG005FT4 MDL No:
Product Description
Catalog Number:
AG005FT4
Chemical Name:
1,2-Propadiene, 1-iodo-1-methoxy-
CAS Number:
72610-28-7
Molecular Formula:
C4H5IO
Molecular Weight:
195.9864
IUPAC Name:
1-iodo-1-methoxypropa-1,2-diene
InChI:
InChI=1S/C4H5IO/c1-3-4(5)6-2/h1H2,2H3
InChI Key:
KYHWKJRHMOLJRT-UHFFFAOYSA-N
SMILES:
COC(=C=C)I
Properties
Complexity:
81.5
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.939g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.987g/mol
Monoisotopic Mass:
195.939g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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