AG00712Z

4919-40-8 | 4-Amino-3,5-dimethylbenzoic acid

AG00712Z

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CAS Number	4919-40-8
Catalog Number	AG00712Z(AGN-PC-0JOCHD)
Chemical Name	4-Amino-3,5-dimethylbenzoic acid
IUPAC Name	4-amino-3,5-dimethylbenzoic acid
InChI	InChI=1S/C9H11NO2/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key	NZEOOPXCKUWJDQ-UHFFFAOYSA-N
MDL Number	MFCD00047840
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
NSC Number	38033
SMILES	CC1=CC(=CC(C)=C1N)C(O)=O
Synonyms	4-amino-3,5-dimethylbenzoic acid, 4919-40-8, 4-AMINO-3,5-DIMETHYL-BENZOIC ACID, Benzoic acid, 4-amino-3,5-dimethyl-, NSC38033, AC1L5VOB, AC1Q5TME, SCHEMBL901041, CTK4J1154, KS-00000OMR, DTXSID10284617, NZEOOPXCKUWJDQ-UHFFFAOYSA-N, 4-amino-3,5-dimethyl benzoic acid, ACT09560, ALBB-032191, ZINC1670387, 6673AB, ANW-58752, MFCD00047840, NSC-38033, SBB087906, Benzoic acid,4-amino-3,5-dimethyl-, AKOS006345271, CM12390, CS-W019299, AJ-29170, AK-68222, AS-10442, DA-17431, AB1006860, ST2411080, TX-013153, 4CH-016691, BB 0259495, FT-0728050, W-3981, null, C9H11NO2, 4-Amino-3,5-dimethylbenzoicacid, 4-amino-3,5-dimethyl-benzoicacid, AR-1G0639, CID236021, ACN-044672, CS-O-14979, 5445-62-5,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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