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73817-95-5 | Propanedioic acid, iodo-, diethyl ester
CAS No: 73817-95-5 Catalog No: AG005AZM MDL No:
Product Description
Catalog Number:
AG005AZM
Chemical Name:
Propanedioic acid, iodo-, diethyl ester
CAS Number:
73817-95-5
Molecular Formula:
C7H11IO4
Molecular Weight:
286.0643
IUPAC Name:
diethyl 2-iodopropanedioate
InChI:
InChI=1S/C7H11IO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
InChI Key:
NWYOFLRIYRNYAR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)I
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.065g/mol
Monoisotopic Mass:
285.97g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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