AG0033QR

55289-06-0 | 3-Methoxy-2-methylbenzoic acid

AG0033QR

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CAS Number	55289-06-0
Catalog Number	AG0033QR(AGN-PC-0CTSJL)
Chemical Name	3-Methoxy-2-methylbenzoic acid
IUPAC Name	3-methoxy-2-methylbenzoic acid
InChI	InChI=1S/C9H10O3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3,(H,10,11)
InChI Key	JPCISVSOTKMFPG-UHFFFAOYSA-N
MDL Number	MFCD02094039
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	COC=1C(=C(C(=O)O)C=CC1)C
Synonyms	3-methoxy-2-methylbenzoic acid, 55289-06-0, 3-Methoxy-o-toluic Acid, 2-Methyl-m-anisic Acid, 3-methoxy-2-methyl-benzoic Acid, 3-Methoxy-2-methylbenzoicacid, Benzoic acid, 3-methoxy-2-methyl-, 2-METHYL-3-METHOXYBENZOIC ACID, MFCD02094039, PubChem4976, AC1ODVFV, ACMC-209lm1, AC1Q44NS, KSC269C9H, SCHEMBL311839, 2-methyl-3-methoxy-benzoic acid, CTK1G9193, KS-00000CTQ, 3-Methoxy-2-methyl benzoic acid, DTXSID00427374, 2-methyl-3-methoxyl-benzoic acid, 2-METHYL-META-ANISIC ACID, JPCISVSOTKMFPG-UHFFFAOYSA-N, BH772, WT035, ACT04231, BCP19993, ZINC2572321, ANW-32279, CM-121, FC0748, QC-403, SBB064170, AKOS005259940, AC-3996, AM84144, AS01891, CM12830, CS-W002884, MCULE-8340999832, MF-0044, RP22895, RTC-062117, SB11451, TRA0078079, AJ-41989, AK-27088, AN-12405, BR-27088, O098, SC-05295, SY020989, 3-methoxy-2-methylbenzoic acid, AldrichCPR, AB0016253, AB1005912, DB-031126, ST2417760, TC-062117, FT-0082279, FT-0615969, M2217, ST50408377, 55289-06-0 3-methoxy-2-methylbenzoic acid, M-2915, MFCD02094039 (97+%), 3-Methoxy-o-toluic acid; 2-Methyl-m-anisic acid, A1-00444, J-512749, C9H10O3, CID7021483, Methyl 3-(trifluoromethyl)-4-aminobenzoate, A8005, 5505-63-5, 87-17-2,

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	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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