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137435-63-3 | Propanedioic acid, (3-iodopropyl)(2-oxoethyl)-, diethyl ester
CAS No: 137435-63-3 Catalog No: AG007ZPU MDL No:
Product Description
Catalog Number:
AG007ZPU
Chemical Name:
Propanedioic acid, (3-iodopropyl)(2-oxoethyl)-, diethyl ester
CAS Number:
137435-63-3
Molecular Formula:
C12H19IO5
Molecular Weight:
370.1807
IUPAC Name:
diethyl 2-(3-iodopropyl)-2-(2-oxoethyl)propanedioate
InChI:
InChI=1S/C12H19IO5/c1-3-17-10(15)12(7-9-14,6-5-8-13)11(16)18-4-2/h9H,3-8H2,1-2H3
InChI Key:
WYJIFAXSKPSEIK-UHFFFAOYSA-N
SMILES:
ICCCC(C(=O)OCC)(C(=O)OCC)CC=O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.183g/mol
Monoisotopic Mass:
370.028g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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