1,5-Pentanediol, diacetate


Chemical Name: 1,5-Pentanediol, diacetate
CAS Number: 6963-44-6
Product Number: AG003DPX(AGN-PC-09TFMU)
Synonyms:
MDL No:
Molecular Formula: C9H16O4
Molecular Weight: 188.2209

Identification/Properties


Properties
MP:
2℃
Form:
Liquid
Computed Properties
Molecular Weight:
188.223g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
8
Exact Mass:
188.105g/mol
Monoisotopic Mass:
188.105g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
147
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:
Warning
UN#:
N/A
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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