AG003444

50-85-1 | 4-Methylsalicylic Acid

AG003444

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CAS Number	50-85-1
Catalog Number	AG003444(AGN-PC-0JK7DG)
Chemical Name	4-Methylsalicylic Acid
EC Number	200-068-3
IUPAC Name	2-hydroxy-4-methylbenzoic acid
InChI	InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
InChI Key	NJESAXZANHETJV-UHFFFAOYSA-N
MDL Number	MFCD00002454
Molecular Formula	C8H8O3
Molecular Weight	152.1473
NSC Number	16634
SMILES	CC=1C=C(C(C(=O)O)=CC1)O
UNII	4H0106V3D3
Synonyms	2-hydroxy-p-toluic acid, 4-METHYLSALICYLIC ACID, 2-Hydroxy-4-methylbenzoic acid, 50-85-1, m-Cresotic acid, 2,4-Cresotic acid, m-Cresotinic acid, 2-Hydroxy-p-toluic acid, m-Homosalicylic acid, 4-Methyl-2-hydroxybenzoic acid, gamma-Cresotic acid, Benzoic acid, 2-hydroxy-4-methyl-, 4-Methylsalicyclic acid, 4-Methylsalicylate, 4-Methylsalicylicacid, NSC 16634, UNII-4H0106V3D3, .gamma.-Cresotic acid, 2-Hydroxy-4-methyl-benzoic acid, EINECS 200-068-3, BRN 2208140, AI3-25424, CHEBI:20450, NJESAXZANHETJV-UHFFFAOYSA-N, NSC16634, MFCD00002454, 4H0106V3D3, 4-methyl salicylic acid, 4-Methylsalicylic acid, 98%, 4-methysalicylic acid, PubChem18270, ACMC-209kqi, bmse000624, AC1Q2J6X, 4-10-00-00617 (Beilstein Handbook Reference), KSC270O7J, SCHEMBL168869, 4-Methylsalicylic acid, 99%, AC1L1L52, CHEMBL1650625, CTK1H0774, KS-00000CAW, DTXSID30198166, Benzoicacid, 2-hydroxy-4-methyl-, ZINC407084, ANW-31144, FC0767, NSC-16634, SBB058803, AKOS000120850, CS-W009192, FS-1791, MCULE-9062424386, RP21565, RTR-018158, TRA0035749, AC-11661, AJ-22593, AK-73066, AN-24384, BP-12491, BR-73066, LS-55453, SC-25952, SY001921, AB0011991, DB-013337, ST2416954, TR-018158, AM20060640, FT-0619108, ST50824319, MFCD00002454 (98%), C14103, M-6179, W-105927, 4-Methylsalicylic acid, Vetec(TM) reagent grade, 99%, Z1270312079, InChI=1/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11, Cresotic acid, 2-hydroxy-p-toluylsyre, C8H8O3, 4-Hydroxy-3-MethylbenzoicAcid, 4-Hydroxy-3-methylbenzoic acid, CID5788, C8-H8-O3, c0409, A7425, A7534, 4-Methylsalicylic acid, 99% - 100G 100g, 499-76-3,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.047g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	152.149g/mol
Monoisotopic Mass	152.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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