AG005J3U

Name: 3-(diethylcarbamoyl)benzoic acid
Brand: Angene Chemical
SKU: AG005J3U

72236-23-8 | 3-(diethylcarbamoyl)benzoic acid

AG005J3U

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COA

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WARNING This product is not for human or veterinary use.

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CAS Number	72236-23-8
Catalog Number	AG005J3U(AGN-PC-0JPKN3)
Chemical Name	3-(diethylcarbamoyl)benzoic acid
IUPAC Name	3-(diethylcarbamoyl)benzoic acid
InChI	InChI=1S/C12H15NO3/c1-3-13(4-2)11(14)9-6-5-7-10(8-9)12(15)16/h5-8H,3-4H2,1-2H3,(H,15,16)
InChI Key	PXXLQQDIFVPNMP-UHFFFAOYSA-N
MDL Number	MFCD00455060
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
SMILES	C(=O)(N(CC)CC)c1cc(C(=O)O)ccc1
Synonyms	3-(diethylcarbamoyl)benzoic acid, 72236-23-8, Benzoic acid, 3-((diethylamino)carbonyl)-, 3-((Diethylamino)carbonyl)benzoic acid, AC1L4EU0, DEET omega-Carboxylic Acid, N,N-Diethylisophthalamic acid, CTK2H7768, DTXSID30222551, ZINC5845978, m-(diethylaminocarbonyl) benzoic acid, AKOS009497475, CID155713,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.105g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.256g/mol
Monoisotopic Mass	221.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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