AG003DMF

4442-54-0 | 2,3-Dihydro-1,4-benzodioxine-6-carboxylic acid

AG003DMF

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CAS Number	4442-54-0
Catalog Number	AG003DMF(AGN-PC-0KKMSN)
Chemical Name	2,3-Dihydro-1,4-benzodioxine-6-carboxylic acid
IUPAC Name	2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
InChI	InChI=1S/C9H8O4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H,10,11)
InChI Key	JWZQJTGQFHIRFQ-UHFFFAOYSA-N
MDL Number	MFCD00463509
Molecular Formula	C9H8O4
Molecular Weight	180.1574
SMILES	O1CCOC2=C1C=CC(=C2)C(=O)O
Synonyms	4442-54-0, 2,3-dihydro-1,4-benzodioxine-6-carboxylic acid, 1,4-Benzodioxane-6-carboxylic acid, 2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid, 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid, 3,4-(Ethylenedioxy)benzoic acid, 1,4-benzodioxin-6-carboxylic acid, 2,3-dihydro-, 3,4-ethylenedioxybenzoic acid, CHEMBL236029, 2,3-Dihydro-1,4-benzodioxine-6-carboxylicacid, JWZQJTGQFHIRFQ-UHFFFAOYSA-N, MFCD00463509, 1,4-BENZODIOXAN-6-CARBOXYLIC ACID, EC-000.1427, 2H,3H-benzo[e]1,4-dioxane-6-carboxylic acid, 2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid, 2,3-Dihydrobenzo[1,4]dioxine-6-carboxylic acid, MLS000551311, 1,4-Benzodioxane-6-carboxylicacid, zlchem 485, PubChem9745, ACMC-1AGMX, AC1MBZ1A, ChemDiv1_000021, Oprea1_263507, Oprea1_707194, SCHEMBL619634, AC1Q73I9, CTK1D8809, HMS587A21, KS-00000CGF, DTXSID00374511, ZLC0350, HMS2156G06, HMS3316C04, ACN-S004158, ACT03809, ALBB-000938, ZINC3884616, ANW-52274, BDBM50371170, benzo(1,4)dioxan-6-carboxylic acid, SBB007047, STK397460, AKOS000114554, AB06147, AC-7216, AN-9230, CB-2065, CS-W002623, MCULE-6043818771, PS-4245, RP03186, SDCCGMLS-0065910.P001, TRA0034294, 6-Carboxy-2,3-dihydro-1,4-benzodioxine, AJ-47157, AK-27815, BR-27815, EN000678, SC-04537, SMR000145237, SY005169, 1,4-Benzodioxane-6-carboxylic acid, 97%, AB0024961, AB1000376, ST2415664, ST4147605, TR-017092, AM20040487, B3764, BB 0221139, EU-0033489, FT-0083253, FT-0609639, W6330, 2H,3H-benzo[e]1,4-dioxin-6-carboxylic acid, M-7791, MFCD00463509 (97+%), 2,3-Dihydro-1,4-Benxodioxiane-6-carboxylic acid, 2,3-Dihydro-1,4-benzodioxin-6-ylcarboxylic acid, 2,3-dihydrobenzo-[1,4]dioxine-6-carboxylic acid, 442D540, SR-01000389779, 2,3-dihydro benzo[b][1,4]dioxin-6-carboxylic acid, I14-6356, J-507007, SR-01000389779-1, Z56839661, F0346-1855, null, C9H8O4, ACN-039621, CID2758833, A7053,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.042g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.159g/mol
Monoisotopic Mass	180.042g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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

Lot Number