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123507-65-3 | Propanedioic acid, 2-iodo-, 1,3-dimethyl ester
CAS No: 123507-65-3 Catalog No: AG000KPE MDL No:
Product Description
Catalog Number:
AG000KPE
Chemical Name:
Propanedioic acid, 2-iodo-, 1,3-dimethyl ester
CAS Number:
123507-65-3
Molecular Formula:
C5H7IO4
Molecular Weight:
258.0111
IUPAC Name:
dimethyl 2-iodopropanedioate
InChI:
InChI=1S/C5H7IO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3
InChI Key:
MINFFKUCEJYMSK-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)I
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.939g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.011g/mol
Monoisotopic Mass:
257.939g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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