Home Other Building Blocks ETHYL CIS-3-IODOCROTONATE, 97

ETHYL CIS-3-IODOCROTONATE, 97

CAS No.:
34450-62-9
Catalog Number:
AG00CU92
Molecular Formula:
C6H9IO2
Molecular Weight:
240.0389
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Product Description
Catalog Number:
AG00CU92
Chemical Name:
ETHYL CIS-3-IODOCROTONATE, 97
CAS Number:
34450-62-9
Molecular Formula:
C6H9IO2
Molecular Weight:
240.0389
MDL Number:
MFCD00274203
IUPAC Name:
ethyl (Z)-3-iodobut-2-enoate
InChI:
InChI=1S/C6H9IO2/c1-3-9-6(8)4-5(2)7/h4H,3H2,1-2H3/b5-4-
InChI Key:
LTFHTHBCTYXEAD-PLNGDYQASA-N
SMILES:
CCOC(=O)/C=C(\I)/C
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
239.965g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.04g/mol
Monoisotopic Mass:
239.965g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties