Propanedioic acid, fluoro-, diethyl ester


Chemical Name: Propanedioic acid, fluoro-, diethyl ester
CAS Number: 685-88-1
Product Number: AG0034QB(AGN-PC-0JKAQF)
Synonyms:
MDL No:
Molecular Formula: C7H11FO4
Molecular Weight: 178.1582

Identification/Properties


Properties
BP:
121-122°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.407(lit.)
Computed Properties
Molecular Weight:
178.159g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
178.064g/mol
Monoisotopic Mass:
178.064g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
151
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3265
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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