methyl 2-(6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)acetate


Chemical Name: methyl 2-(6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)acetate
CAS Number: 10399-13-0
Product Number: AG00HA8W(AGN-PC-09TFJZ)
Synonyms:
MDL No:
Molecular Formula: C15H20O3
Molecular Weight: 248.3175

Identification/Properties


Computed Properties
Molecular Weight:
248.322g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
248.141g/mol
Monoisotopic Mass:
248.141g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
278
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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