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119368-33-1 | Propanedioic acid, 2-iodo-2-methyl-, 1,3-diethyl ester
CAS No: 119368-33-1 Catalog No: AG000IND MDL No:
Product Description
Catalog Number:
AG000IND
Chemical Name:
Propanedioic acid, 2-iodo-2-methyl-, 1,3-diethyl ester
CAS Number:
119368-33-1
Molecular Formula:
C8H13IO4
Molecular Weight:
300.0909
IUPAC Name:
diethyl 2-(iodomethyl)propanedioate
InChI:
InChI=1S/C8H13IO4/c1-3-12-7(10)6(5-9)8(11)13-4-2/h6H,3-5H2,1-2H3
InChI Key:
JTKQNKCBVMTDEN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(I)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.986g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.092g/mol
Monoisotopic Mass:
299.986g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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