hexane-1,6-diol;prop-2-enoic acid


Chemical Name: hexane-1,6-diol;prop-2-enoic acid
CAS Number: 13048-33-4
Product Number: AG00717L(AGN-PC-03L84V)
Synonyms:
MDL No:
Molecular Formula: C12H18O4
Molecular Weight: 226.2689

Identification/Properties


Computed Properties
Molecular Weight:
226.272g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
11
Exact Mass:
226.121g/mol
Monoisotopic Mass:
226.121g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
219
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#:
-
Hazard Statements:
H315-H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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