AG00BVOW

Name: 3-(2-Oxo-1-phenylcyclohexyl)propanoic acid
Brand: Angene Chemical
SKU: AG00BVOW

2819-68-3 | 3-(2-Oxo-1-phenylcyclohexyl)propanoic acid

AG00BVOW

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CAS Number	2819-68-3
Catalog Number	AG00BVOW(AGN-PC-0JMXMU)
Chemical Name	3-(2-Oxo-1-phenylcyclohexyl)propanoic acid
IUPAC Name	3-(2-oxo-1-phenylcyclohexyl)propanoic acid
InChI	InChI=1S/C15H18O3/c16-13-8-4-5-10-15(13,11-9-14(17)18)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,17,18)
InChI Key	ZDCBPGXPFYLDBZ-UHFFFAOYSA-N
MDL Number	MFCD03412495
Molecular Formula	C15H18O3
Molecular Weight	246.3016
NSC Number	97795
SMILES	OC(=O)CCC1(CCCCC1=O)C1=CC=CC=C1
Synonyms	3-(2-oxo-1-phenylcyclohexyl)propanoic acid, 2819-68-3, 2-Oxo-1-phenylcyclohexanepropionic acid, BRN 2655544, Cyclohexanepropionic acid, 2-oxo-1-phenyl-, Acido 2-fenilcicloessanon-2-beta-propionico [Italian], NSC97795, Acido 2-fenilcicloessanon-2-beta-propionico, 4-10-00-02889 (Beilstein Handbook Reference), SCHEMBL435025, AC1L457A, CTK1A2047, ZDCBPGXPFYLDBZ-UHFFFAOYSA-N, MFCD01734840, NSC-97795, AS-38655, LS-56991, Cyclohexanepropanoicacid, 2-oxo-1-phenyl-, AB0078010, AX8266986, X-2279, CID200841, 2-Oxo-1-phenylcyclohexanepropionicacid, C15-H18-O3,

Complexity	318
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.126g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	246.306g/mol
Monoisotopic Mass	246.126g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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