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80196-04-9 | Carbonic acid, ethyl1-iodoethyl ester
CAS No: 80196-04-9 Catalog No: AG0054DO MDL No:MFCD09031346
Product Description
Catalog Number:
AG0054DO
Chemical Name:
Carbonic acid, ethyl1-iodoethyl ester
CAS Number:
80196-04-9
Molecular Formula:
C5H8IO3-
Molecular Weight:
243.0197
MDL Number:
MFCD09031346
IUPAC Name:
ethyl 1-iodoethyl carbonate
InChI:
InChI=1S/C5H9IO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3
InChI Key:
BDHXJIRTSWHBPR-UHFFFAOYSA-N
SMILES:
[O-]C(=O)OC(CCC)I
Properties
Complexity:
94.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.96g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.028g/mol
Monoisotopic Mass:
243.96g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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