AG003RO5

22717-57-3 | Methyl 2-hydroxy-5-methylbenzoate

AG003RO5

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CAS Number	22717-57-3
Catalog Number	AG003RO5(AGN-PC-0JLY8J)
Chemical Name	Methyl 2-hydroxy-5-methylbenzoate
EC Number	245-173-5
IUPAC Name	methyl 2-hydroxy-5-methylbenzoate
InChI	InChI=1S/C9H10O3/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5,10H,1-2H3
InChI Key	JQYUQKRFSSSGJM-UHFFFAOYSA-N
MDL Number	MFCD00016485
Molecular Formula	C9H10O3
Molecular Weight	166.1739
NSC Number	165635
SMILES	COC(=O)C1=C(O)C=CC(C)=C1
Synonyms	Methyl 5-methylsalicylate, 22717-57-3, Methyl 2-hydroxy-5-methylbenzoate, Benzoic acid, 2-hydroxy-5-methyl-, methyl ester, methyl-5-methylsalicylate, 2-Hydroxy-5-methylbenzoic acid methyl ester, 2,5-Cresotic acid, methyl ester, methyl 5-methyl salicylate, p-Cresotic Acid Methyl Ester, JQYUQKRFSSSGJM-UHFFFAOYSA-N, 5-Methylsalicylic Acid Methyl Ester, Methyl 2-Hydroxy-5-Methyl-Benzoate, 6-Hydroxy-m-toluic Acid Methyl Ester, Methyl5-methylsalicylate, Methyl 6-hydroxy-m-toluate, EINECS 245-173-5, NSC 165635, AC1L3IMX, methyl-5-methyl salicylate, ACMC-209fy9, AC1Q42RP, AC1Q42RQ, KSC493K6D, SCHEMBL122473, 2,5-Cresotic acid methyl ester, DTXSID0066822, CTK3J3561, Methyl 5-methylsalicylate, 96%, Methylsalicylic acid methyl ester, ZINC162965, ALBB-032127, STR08585, methyl 5-methyl-2-oxidanyl-benzoate, 5-methyl-salicylic acid methyl ester, ANW-24943, Methyl 2-hydroxy-5-methylbenzoate #, MFCD00016485, NSC165635, SBB053692, AKOS005257023, AC-8705, AN-7756, AT-4129, MCULE-1434337294, NSC-165635, PS-4484, RTR-010660, VZ32678, AJ-15958, CJ-02058, U697, ZB007903, 5-Methylsalicylic acid methyl ester, 96%, DB-007691, TR-010660, FT-0080984, FT-0620672, M1353, ST24030967, ST50406107, 2-hydroxy-5-methyl-benzoic acid methyl ester, 2-Hydroxy-5-methylbenzoic acid, methyl ester, EN300-29835, KS-00001592, C-4892, 717M573, A816323, I01-3458, W-107461, InChI=1/C9H10O3/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5,10H,1-2H, 2, methyl ester, Benzoic acid, methyl ester, C9H10O3, CID89802, C9-H10-O3, ACN-050319, Methyl 5-methylsalicylate, 97% - 25G 25g,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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