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138102-13-3 | 2-Propenal, 3-iodo-, (2Z)- (9CI)
CAS No: 138102-13-3 Catalog No: AG0017ZW MDL No:
Product Description
Catalog Number:
AG0017ZW
Chemical Name:
2-Propenal, 3-iodo-, (2Z)- (9CI)
CAS Number:
138102-13-3
Molecular Formula:
C3H3IO
Molecular Weight:
181.9598
IUPAC Name:
3-iodoprop-2-enal
InChI:
InChI=1S/C3H3IO/c4-2-1-3-5/h1-3H
InChI Key:
USCIAUQYKPSEHG-UHFFFAOYSA-N
SMILES:
I/C=C\C=O
Properties
Complexity:
48.9
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:
1
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of the cytotoxicity of apoptolidinones A and D. | The Journal of organic chemistry 20080704 |
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