AG006GJ3

Name: 3-[(3,3-dimethylbutanoyl)amino]benzoic acid
Brand: Angene Chemical
SKU: AG006GJ3

915923-42-1 | 3-[(3,3-dimethylbutanoyl)amino]benzoic acid

AG006GJ3

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CAS Number	915923-42-1
Catalog Number	AG006GJ3(AGN-PC-0WB52N)
Chemical Name	3-[(3,3-dimethylbutanoyl)amino]benzoic acid
IUPAC Name	3-(3,3-dimethylbutanoylamino)benzoic acid
InChI	InChI=1S/C13H17NO3/c1-13(2,3)8-11(15)14-10-6-4-5-9(7-10)12(16)17/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)
InChI Key	FLPJVCYHCRNXQX-UHFFFAOYSA-N
MDL Number	MFCD08569894
Molecular Formula	C13H17NO3
Molecular Weight	235.2790
SMILES	C(O)(=O)C1C=CC=C(C=1)NC(CC(C)(C)C)=O
Synonyms	3-[(3,3-dimethylbutanoyl)amino]benzoic acid, 915923-42-1, 3-(3,3-dimethylbutanamido)benzoic acid, CTK5H0093, DTXSID80588538, ALBB-003565, 3104AF, BBL017769, MFCD08569894, STK482325, ZINC12956796, AKOS000142809, MCULE-8430205935, NCGC00332881-01, AJ-63251, 3-(3,3-dimethylbutanoylamino)benzoic acid, TR-053675, ST45173697, Y-3959, AB01327312-02, 3-[(3,3-Dimethylbutanoyl)amino]benzoic acid, AldrichCPR, C13H17NO3,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.121g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	235.283g/mol
Monoisotopic Mass	235.121g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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