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127047-77-2 | 1,3-Propanediol, 2-(2-iodoethyl)-, 1,3-diacetate
CAS No: 127047-77-2 Catalog No: AG000WM1 MDL No:
Product Description
Catalog Number:
AG000WM1
Chemical Name:
1,3-Propanediol, 2-(2-iodoethyl)-, 1,3-diacetate
CAS Number:
127047-77-2
Molecular Formula:
C9H15IO4
Molecular Weight:
314.1175
IUPAC Name:
[2-(acetyloxymethyl)-4-iodobutyl] acetate
InChI:
InChI=1S/C9H15IO4/c1-7(11)13-5-9(3-4-10)6-14-8(2)12/h9H,3-6H2,1-2H3
InChI Key:
BBRUXHDMYDKKTH-UHFFFAOYSA-N
SMILES:
ICCC(COC(=O)C)COC(=O)C
EC Number:
411-780-0
UNII:
UGI04T2ZSI
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.002g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.119g/mol
Monoisotopic Mass:
314.002g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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