AG003JO4

877-22-5 | 3-Methoxysalicylic acid

AG003JO4

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CAS Number	877-22-5
Catalog Number	AG003JO4(AGN-PC-0JL9HT)
Chemical Name	3-Methoxysalicylic acid
EC Number	212-888-9
IUPAC Name	2-hydroxy-3-methoxybenzoic acid
InChI	InChI=1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)
InChI Key	AUZQQIPZESHNMG-UHFFFAOYSA-N
MDL Number	MFCD00002445
Molecular Formula	C8H8O4
Molecular Weight	168.1467
SMILES	C1=CC=C(C(=C1C(O)=O)O)OC
UNII	3J31Y0E2IM
Synonyms	2-hydroxy-3-methoxybenzoic acid, 3-Methoxysalicylic acid, 2-Hydroxy-3-methoxybenzoic acid, 877-22-5, o-Vanillic acid, Acide orthovanillique, Benzoic acid, 2-hydroxy-3-methoxy-, m-Anisic acid, 2-hydroxy-, 3-Hydroxy-m-anisic acid, UNII-3J31Y0E2IM, 2-hydroxy-3-methoxy-benzoic acid, EINECS 212-888-9, MFCD00002445, NSC 134533, NSC 408167, BRN 2209642, 3J31Y0E2IM, CHEBI:68496, AUZQQIPZESHNMG-UHFFFAOYSA-N, 2-Hydroxy-3-Methoxy Benzoic Acid, 2-Hydroxy-M-Anisicaci, WLN: QVR BQ CO1, 3-methoxysalicylic acid (2-hydroxy-3-methoxybenzoic acid), 3-Methoxysalicylicacid, ACMC-209qpk, 3-methoxysalicyclic acid, 3-methoxy-salicylic acid, AC1L2DFT, Guaiacol-3-carboxylic Acid, 3-Carboxy-2-hydroxyanisole, SCHEMBL5458, 3-10-00-01363 (Beilstein Handbook Reference), KSC495M0B, AC1Q4E26, AC1Q5U45, CHEMBL450441, CTK3J5600, DTXSID20236566, ZINC162392, EBD39749, KS-00000CP0, ANW-38886, BBL027382, NSC134533, NSC408167, SBB063040, STL372636, AKOS000120843, CS-W017817, MCULE-2260095973, NSC-134533, NSC-408167, RTR-033315, VZ24725, 2-Hydroxy-3-methoxybenzoic acid, 97%, TRA-0204699, AC-11840, AJ-15906, AK-47661, AN-47895, AS-10831, BR-47661, LS-20097, SC-12195, SY014328, AB0008298, DB-021165, TR-033315, AM20060745, Benzoic acid, 2-hydroxy-3-methoxy- (9CI), FT-0615968, M1153, ST24032648, ST50406420, M-2855, MFCD00002445 (97+%), I01-0168, W-104007, Z1270446362, InChI=1/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11, C8H8O4, C8-H8-O4, CID70140, AR-1E2362, 2-Hydroxy-3-methoxybenzoic acid, 97% - 25G 25g, 93790-40-0,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.042g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	168.148g/mol
Monoisotopic Mass	168.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number