AG00371X

5653-46-3 | 2-Hydroxy-3,4-dimethoxybenzoic acid

AG00371X

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CAS Number	5653-46-3
Catalog Number	AG00371X(AGN-PC-0JLS7N)
Chemical Name	2-Hydroxy-3,4-dimethoxybenzoic acid
EC Number	227-096-9
IUPAC Name	2-hydroxy-3,4-dimethoxybenzoic acid
InChI	InChI=1S/C9H10O5/c1-13-6-4-3-5(9(11)12)7(10)8(6)14-2/h3-4,10H,1-2H3,(H,11,12)
InChI Key	CJFQIVAOBBTJCI-UHFFFAOYSA-N
MDL Number	MFCD00016498
Molecular Formula	C9H10O5
Molecular Weight	198.1727
NSC Number	37414
SMILES	OC1=C(C(=O)O)C=CC(=C1OC)OC
Synonyms	2-Hydroxy-3,4-dimethoxybenzoic acid, 5653-46-3, 3,4-Dimethoxysalicylic acid, 3,4-dimethoxy-2-hydroxybenzoic acid, Benzoic acid, 2-hydroxy-3,4-dimethoxy-, CJFQIVAOBBTJCI-UHFFFAOYSA-N, VERATRIC ACID, 2-HYDROXY-, 2-hydroxy-3,4-dimethoxybenzoes, 2-Hydroxy-3,4-dimethoxybenzoicacid, EINECS 227-096-9, Spectrum_001290, AC1Q5TIF, Spectrum2_001921, Spectrum3_001124, Spectrum4_001968, Spectrum5_000841, AC1L2Y1C, BSPBio_002587, KBioGR_002440, KBioSS_001770, SCHEMBL419244, SPECTRUM1400164, SPBio_001921, CHEMBL1487905, CTK5A5300, KBio2_001770, KBio2_004338, KBio2_006906, KBio3_002087, DTXSID50205088, ALBB-025280, NSC37414, ZINC1670010, ZX-AN023794, 8270AB, CCG-38488, FCH830640, MFCD00016498, NSC-37414, SBB072468, AKOS000278042, DS-6113, MCULE-6566886673, Benzoic acid,2-hydroxy-3,4-dimethoxy-, NCGC00095870-01, NCGC00095870-02, AJ-29147, AK113174, AB0161964, AX8075535, CS-0036288, FT-0691703, R1325, ST45028286, A23076, 2-hydroxy-3,4-dimethoxybenzoic acid, AldrichCPR, C-52782, SR-05000002439, I01-7997, SR-05000002439-1, C9H10O5, CID79737, AR-1E2328, C9-H10-O5, 58160-29-5,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	198.174g/mol
Monoisotopic Mass	198.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	76A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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