AG003JN2

62089-34-3 | 3-Methoxy-5-methylbenzoic acid

AG003JN2

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CAS Number	62089-34-3
Catalog Number	AG003JN2(AGN-PC-0JOM0R)
Chemical Name	3-Methoxy-5-methylbenzoic acid
IUPAC Name	3-methoxy-5-methylbenzoic acid
InChI	InChI=1S/C9H10O3/c1-6-3-7(9(10)11)5-8(4-6)12-2/h3-5H,1-2H3,(H,10,11)
InChI Key	ALUKWQVSCATDLJ-UHFFFAOYSA-N
MDL Number	MFCD11052872
Molecular Formula	C9H10O3
Molecular Weight	166.1739
NSC Number	175905
SMILES	C1=C(C)C=C(C(=O)O)C=C1OC
Synonyms	3-Methoxy-5-methylbenzoic acid, 62089-34-3, 3-Methoxy-5-methyl-benzoic acid, 3-Methoxy-5-methylbenzoicacid, Benzoic acid, 3-methoxy-5-methyl-, AK-40077, W-203319, NSC175905, ACMC-20a0da, AC1L6WWC, KSC353G0F, SCHEMBL6738707, CTK2F3302, DTXSID80306370, ZINC1720480, ANW-51404, CL8092, FCH923676, MFCD12405314, AKOS005259846, AB65530, ACN-049328, CS-W018772, FS-2229, NSC-175905, RP22884, RTC-063167, VZ27031, KS-0000015Y, TRA-0193299, AJ-30984, AM804144, AN-39157, BR-40077, OR345381, SC-48656, SY012262, AB0025867, AB1005902, AX8167669, DB-031127, ST2410758, TC-063167, 4CH-009178, A8587, FT-0747078, W7415, S-5217, MFCD12405314 (97+%), 089M343, M030544, null, C9H10O3, CID300711,

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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