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85054-02-0

85054-02-0 | 2-Propenoic acid, 2-(iodomethyl)-, ethyl ester

CAS No: 85054-02-0 Catalog No: AG004SIO MDL No:

Product Description

Catalog Number:
AG004SIO
Chemical Name:
2-Propenoic acid, 2-(iodomethyl)-, ethyl ester
CAS Number:
85054-02-0
Molecular Formula:
C6H9IO2
Molecular Weight:
240.0389
IUPAC Name:
ethyl 2-(iodomethyl)prop-2-enoate
InChI:
InChI=1S/C6H9IO2/c1-3-9-6(8)5(2)4-7/h2-4H2,1H3
InChI Key:
GPGTWVLKXIYSFI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C)CI

Properties

Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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