1,3-Propanediol, 1-(2-furanyl)-2,2-dimethyl-


Chemical Name: 1,3-Propanediol, 1-(2-furanyl)-2,2-dimethyl-
CAS Number: 4946-64-9
Product Number: AG006ZVY(AGN-PC-006IAU)
Synonyms:
MDL No:
Molecular Formula: C9H14O3
Molecular Weight: 170.2057

Identification/Properties


Computed Properties
Molecular Weight:
170.208g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
170.094g/mol
Monoisotopic Mass:
170.094g/mol
Topological Polar Surface Area:
53.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
145
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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