AG003INU

1132-21-4 | 3,5-Dimethoxybenzoic acid

AG003INU

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CAS Number	1132-21-4
Catalog Number	AG003INU(AGN-PC-0JKBON)
Chemical Name	3,5-Dimethoxybenzoic acid
EC Number	214-473-8
IUPAC Name	3,5-dimethoxybenzoic acid
InChI	InChI=1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)
InChI Key	IWPZKOJSYQZABD-UHFFFAOYSA-N
MDL Number	MFCD00002502
Molecular Formula	C9H10O4
Molecular Weight	182.1733
SMILES	C(=O)(O)c1cc(OC)cc(c1)OC
UNII	38MY78ECKK
Synonyms	3,5-DIMETHOXYBENZOIC ACID, 1132-21-4, Benzoic acid, 3,5-dimethoxy-, UNII-38MY78ECKK, MFCD00002502, 3,5-dimethoxy benzoic acid, 38MY78ECKK, IWPZKOJSYQZABD-UHFFFAOYSA-N, 3,5-Dimethoxybenzoic acid, 99%, NSC 8514, EINECS 214-473-8, NSC 43744, PubChem3121, AI3-52341, 3,5-DimethoxybenzoicAcid, ACMC-1C4ZL, 3,5-dimethoxy-benzoic acid, KSC176M0P, Benzoicacid, 3,5-dimethoxy-, SCHEMBL503889, AC1L23M4, AC1Q47J5, CHEMBL488610, DTXSID3061550, CTK0H6607, KS-00000CHN, ZINC66023, NSC8514, CHEBI:142601, 3,5-Dimethoxybenzoic acid, 97%, ACT00771, NSC-8514, NSC43744, ANW-16568, NSC-43744, SBB007798, STK297833, AKOS000119533, AB00230, AC-7307, AN-9121, BS-3988, CS-W001251, MCULE-4396537843, RP03266, RTR-002525, TRA0085070, AJ-10173, AK-32874, BR-32874, SC-00423, SY005660, AB1000536, TL8000393, TR-002525, AM20060486, D1534, FT-0614640, ST24028228, ST45061496, MFCD00002502 (98%), M-6164, 132D214, AK-968/40724491, I01-0620, W-108623, F3098-1920, Z256708362, InChI=1/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11, null, Benzoic acid,5-dimethoxy-, C9H10O4, CID14332, C9-H10-O4, 3,5-Dimethoxybenzoic acid, 98% - 100G 100g,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.175g/mol
Monoisotopic Mass	182.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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