AG0073NQ

42075-29-6 | 4-(4-Aminophenyl)-3-methyl-4-oxobutanoic acid

AG0073NQ

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CAS Number	42075-29-6
Catalog Number	AG0073NQ(AGN-PC-0WAJEJ)
Chemical Name	4-(4-Aminophenyl)-3-methyl-4-oxobutanoic acid
IUPAC Name	4-(4-aminophenyl)-3-methyl-4-oxobutanoic acid
InChI	InChI=1S/C11H13NO3/c1-7(6-10(13)14)11(15)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,14)
InChI Key	LTGZRJJFPDCBAO-UHFFFAOYSA-N
MDL Number	MFCD09743855
Molecular Formula	C11H13NO3
Molecular Weight	207.2258
SMILES	O=C(O)CC(C)C(C1=CC=C(N)C=C1)=O
Synonyms	4-(4-AMINOPHENYL)-3-METHYL-4-OXOBUTANOIC ACID, 42075-29-6, AK109200, SCHEMBL8381804, 3-(p-Aminobenzoyl)butyric Acid, CTK4I5672, DTXSID80450084, EBD21599, 5796AB, ANW-72991, MFCD09743855, AKOS015891294, DS-4171, ACM42075296, AX8020765, TC-161736, ST24042920, Benzenebutanoic acid,4-amino-b-methyl-g-oxo-, 075A296, A825750, I01-8879, 4-(4-aminophenyl)-3-methyl-4-oxidanylidene-butanoic acid, C11H13NO3, CID10965688, 4-(4-Aminophenyl)-3-methyl-4-oxobutanoicacid, 4-(4-aminophenyl)-3-methyl-4-oxo-butanoic Acid,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.09g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	207.229g/mol
Monoisotopic Mass	207.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	80.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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