AG003DME

3663-80-7 | 2,3-Dihydrobenzo[b][1,4]dioxine-2-carboxylic acid

AG003DME

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CAS Number	3663-80-7
Catalog Number	AG003DME(AGN-PC-0JUY0G)
Chemical Name	2,3-Dihydrobenzo[b][1,4]dioxine-2-carboxylic acid
IUPAC Name	2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
InChI	InChI=1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)
InChI Key	HMBHAQMOBKLWRX-UHFFFAOYSA-N
MDL Number	MFCD00084888
Molecular Formula	C9H8O4
Molecular Weight	180.1574
SMILES	O=C(C1OC2=CC=CC=C2OC1)O
Synonyms	3663-80-7, 1,4-Benzodioxan-2-carboxylic acid, 1,4-Benzodioxane-2-carboxylic Acid, 2,3-Dihydrobenzo[b][1,4]dioxine-2-carboxylic acid, 2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, 34385-93-8, 1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, 1,4-Benzodioxan-2-carboxylicacid, 2,3-dihydro-1,4-benzodioxine-3-carboxylic acid, MFCD00084888, (2RS)-2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid, rac 1,4-benzodioxane-2-carboxylic acid, 2,3-Dihydrobenzo[1,4]dioxine-2-carboxylic acid, 2,3-Dihydrobenzo(b)(1,4)dioxine-2-carboxylic acid, Doxazosin impurity A, 2H,3H-benzo[e]1,4-dioxane-2-carboxylic acid, AK-44069, Doxazosin mesilate impurity A [EP], CDS1_000297, USP doxazosin related compound D [USP], ACMC-1CUSQ, RX 811056, RX-811056, (+/-)-1,4-Benzodioxan-2-carboxylic acid, Maybridge1_002585, USP doxazosin related compound D RS [USP], ChemDiv2_003276, AC1MC3C7, 2,3-dihydro-1,4-benzodioxin-2-carboxylic acid, 2-benzodioxanecarboxylic acid, Oprea1_073520, KSC222G6B, DivK1c_001337, SCHEMBL229498, AC1Q74Q6, BEN022, Jsp006517, CTK1C2360, HMS548N11, KS-00000CDA, HMBHAQMOBKLWRX-UHFFFAOYSA-N, HMS1378E20, ACT09619, ALBB-004760, STR04611, 1,4-benzodioxane 2-carboxylic acid, 1,4-benzodiozane-2-carboxylic acid, ANW-28454, BBL001421, SBB000213, STK183543, Afalanine (N-Acetyl-DL-phenylalanine), AKOS000271138, AKOS016040108, AC-1644, ACN-039613, AN-6851, CCG-202901, CS-W002348, MCULE-7160477164, RP03183, RTC-069547, SDCCGMLS-0065916.P001, TRA0055580, TRA0119431, VZ20637, AK-34764, AK-44070, BC209529, SC-23379, ST002069, SY003328, 1,4-Benzodioxan-2-carboxylic acid, 97%, AB0003411, DB-048985, ST2409038, TC-069547, A6320, B3406, EU-0033210, FT-0083258, FT-0606770, FT-0650411, 63B807, L-2633, M-2622, MFCD00084888 (97+%), 1,4-Benzodioxin-2-carboxylicacid, 2,3-dihydro-, 2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid, SR-01000597134, 12W-0825, I01-1612, I01-2687, J-507002, SR-01000597134-1, 2,3-dihydrobenzo [b][1,4]dioxine-2-carboxylic acid, Z56839652, F0913-5472, Doxazosin Related Compound D, United States Pharmacopeia (USP) Reference Standard, 5-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-benzimidazole, Afalanine, UNII-T9Z56HV1B0, N-Acetyl-DL-phenylalanine, (R)-1,4-Benzodioxane-2-carboxylic acid, C9H8O4, T9Z56HV1B0, (S)-1,4-Benzodioxane-2-carboxylic acid, 1,4-Benzodioxane-2-carboxylicacid, CID2735450, (S)-2-Hydroxymethyl-1-methylpyrrolidine, (S)-(-)-1-Methyl-2-pyrrolidinemethanol, 70918-53-5, 1,4-Benzodioxan-2-carboxylic acid, 99% - 25G 25g, 70918-54-6, 2901-75-9,

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	1
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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