1,3-Butanediol, diacetate


Chemical Name: 1,3-Butanediol, diacetate
CAS Number: 1117-31-3
Product Number: AG003DIC(AGN-PC-09TF0Z)
Synonyms:
MDL No:
Molecular Formula: C8H14O4
Molecular Weight: 174.1944

Identification/Properties


Properties
BP:
228.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
174.196g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
174.089g/mol
Monoisotopic Mass:
174.089g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
164
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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