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31253-08-4 | ETHYL 2-IODOPROPIONATE
CAS No: 31253-08-4 Catalog No: AG00BDO8 MDL No:MFCD02258628
Product Description
Catalog Number:
AG00BDO8
Chemical Name:
ETHYL 2-IODOPROPIONATE
CAS Number:
31253-08-4
Molecular Formula:
C5H9IO2
Molecular Weight:
228.0282
MDL Number:
MFCD02258628
IUPAC Name:
ethyl 2-iodopropanoate
InChI:
InChI=1S/C5H9IO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
InChI Key:
AVMMXNKUHBWIMU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(I)C
Properties
Complexity:
82.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.965g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.029g/mol
Monoisotopic Mass:
227.965g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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