AG000L1B

Name: 3-(4-Cyanophenyl)cyclohexanone
Brand: Angene Chemical
SKU: AG000L1B

123732-09-2 | 3-(4-Cyanophenyl)cyclohexanone

AG000L1B

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CAS Number	123732-09-2
Catalog Number	AG000L1B(AGN-PC-0NKTWJ)
Chemical Name	3-(4-Cyanophenyl)cyclohexanone
IUPAC Name	4-(3-oxocyclohexyl)benzonitrile
InChI	InChI=1S/C13H13NO/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h4-7,12H,1-3,8H2
InChI Key	YERDBWDYWNZYDJ-UHFFFAOYSA-N
MDL Number	MFCD03841072
Molecular Formula	C13H13NO
Molecular Weight	199.2484
SMILES	C1C(CC(C2C=CC(C#N)=CC=2)CC1)=O
Synonyms	3-(4-CYANOPHENYL)CYCLOHEXANONE, 4-(3-oxocyclohexyl)benzonitrile, 123732-09-2, SCHEMBL3663084, CTK4B3608, DTXSID50577717, YERDBWDYWNZYDJ-UHFFFAOYSA-N, 2943AD, MFCD03841072, AKOS006277591, AS-36316, FT-0745052, C13H13NO,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.1g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.253g/mol
Monoisotopic Mass	199.1g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited