AG00BEU3

Name: 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione
Brand: Angene Chemical
SKU: AG00BEU3

27462-91-5 | 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione

AG00BEU3

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CAS Number	27462-91-5
Catalog Number	AG00BEU3(AGN-PC-0LK8WT)
Chemical Name	5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione
IUPAC Name	5-(3-methoxyphenyl)cyclohexane-1,3-dione
InChI	InChI=1S/C13H14O3/c1-16-13-4-2-3-9(7-13)10-5-11(14)8-12(15)6-10/h2-4,7,10H,5-6,8H2,1H3
InChI Key	AQUXWSRUHWNKNU-UHFFFAOYSA-N
MDL Number	MFCD06660538
Molecular Formula	C13H14O3
Molecular Weight	218.2485
SMILES	COC1=CC(C2CC(=O)CC(=O)C2)=CC=C1
Synonyms	5-(3-methoxyphenyl)cyclohexane-1,3-dione, 27462-91-5, 5-(3-methoxyphenyl)-1,3-Cyclohexanedione, AC1NLQ67, AC1Q47Z9, SCHEMBL14941711, CTK4F9723, DTXSID40407014, ALBB-015305, MFCD06660538, SBB055321, STK407684, AKOS000117902, ZINC100066358, MCULE-2771555909, AS-42070, AB0081683, DB-067786, 1,3-Cyclohexanedione,5-(3-methoxyphenyl)-, FT-0683983, ST50654237, 1,3-Cyclohexanedione, 5-(3-methoxyphenyl)-, EN300-12926, Y-8216, 5-(3-methoxyphenyl)cyclohexane-1,3-dione, AldrichCPR, I14-29061, Z85937185, 5- CYCLOHEXANE-1,3-DIONE, CID4962136,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.094g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.252g/mol
Monoisotopic Mass	218.094g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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