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99414-73-0 | 2-IODO-2-PROPENAL
CAS No: 99414-73-0 Catalog No: AG005SDD MDL No:
Product Description
Catalog Number:
AG005SDD
Chemical Name:
2-IODO-2-PROPENAL
CAS Number:
99414-73-0
Molecular Formula:
C3H3IO
Molecular Weight:
181.9598
IUPAC Name:
2-iodoprop-2-enal
InChI:
InChI=1S/C3H3IO/c1-3(4)2-5/h2H,1H2
InChI Key:
ITMRZJAOPQPYQB-UHFFFAOYSA-N
SMILES:
IC(=C)C=O
Properties
Complexity:
57.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.923g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.96g/mol
Monoisotopic Mass:
181.923g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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