Cyclohexanone, 4-(1,3-benzodioxol-5-yl)-4-hydroxy-


Chemical Name: Cyclohexanone, 4-(1,3-benzodioxol-5-yl)-4-hydroxy-
CAS Number: 150019-57-1
Product Number: AG001M9D(AGN-PC-0045IV)
Synonyms:
MDL No:
Molecular Formula: C13H14O4
Molecular Weight: 234.2479

Identification/Properties


Computed Properties
Molecular Weight:
234.251g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
234.089g/mol
Monoisotopic Mass:
234.089g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
305
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:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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