Carbamic acid, (3-oxocyclohexyl)-, phenylmethyl ester


Chemical Name: Carbamic acid, (3-oxocyclohexyl)-, phenylmethyl ester
CAS Number: 320590-29-2
Product Number: AG00BZCI(AGN-PC-0MZZO3)
Synonyms:
MDL No:
Molecular Formula: C14H17NO3
Molecular Weight: 247.2897

Identification/Properties


Computed Properties
Molecular Weight:
247.294g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
247.121g/mol
Monoisotopic Mass:
247.121g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
297
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#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



The Carbamic acid, (3-oxocyclohexyl)-, phenylmethyl ester is a versatile compound widely utilized in chemical synthesis processes. This particular substance plays a crucial role in the creation of various pharmaceutical intermediates due to its ability to undergo diverse chemical reactions. Its application extends to the formation of key structural components in the synthesis of organic compounds, particularly in the pharmaceutical industry. Additionally, this compound is valued for its reactivity and compatibility with a range of other chemicals, making it a valuable asset in the realm of chemical synthesis.