AG005OCT

Name: cis-3-Benzoylcyclohexane-1-carboxylic acid
Brand: Angene Chemical
SKU: AG005OCT

733742-86-4 | cis-3-Benzoylcyclohexane-1-carboxylic acid

AG005OCT

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CAS Number	733742-86-4
Catalog Number	AG005OCT(AGN-PC-0WCBPN)
Chemical Name	cis-3-Benzoylcyclohexane-1-carboxylic acid
IUPAC Name	(1S,3R)-3-benzoylcyclohexane-1-carboxylic acid
InChI	InChI=1S/C14H16O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-3,5-6,11-12H,4,7-9H2,(H,16,17)/t11-,12+/m1/s1
InChI Key	LCOMXIQTOGETME-NEPJUHHUSA-N
MDL Number	MFCD01311278
Molecular Formula	C14H16O3
Molecular Weight	232.2750
SMILES	C(C1=CC=CC=C1)(=O)[C@H]1C[C@H](CCC1)C(=O)O
Synonyms	CIS-3-BENZOYLCYCLOHEXANE-1-CARBOXYLIC ACID, 733742-86-4, SCHEMBL1865557, CTK5D7902, LCOMXIQTOGETME-NEPJUHHUSA-N, 8954AE, ZINC91676077, AKOS030232416, Z-2470, (1S)-3alpha-Benzoylcyclohexane-1alpha-carboxylic acid, C14H16O3, CID11345291, (1S,3R)-3-benzoylcyclohexane-1-carboxylic Acid,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	232.11g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.279g/mol
Monoisotopic Mass	232.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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