1,1-Ethanediol, diacetate


Chemical Name: 1,1-Ethanediol, diacetate
CAS Number: 542-10-9
Product Number: AG00DA73(AGN-PC-0J0XM7)
Synonyms:
MDL No:
Molecular Formula: C6H10O4
Molecular Weight: 146.1412

Identification/Properties


Computed Properties
Molecular Weight:
146.142g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
146.058g/mol
Monoisotopic Mass:
146.058g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
125
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#:
3272
Hazard Statements:
H227
Precautionary Statements:
P210-P280-P370+P378-P403+P235-P501
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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