AG003FIP

4442-53-9 | 2,3-Dihydrobenzo[b][1,4]dioxine-5-carboxylic acid

AG003FIP

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CAS Number	4442-53-9
Catalog Number	AG003FIP(AGN-PC-0JLR72)
Chemical Name	2,3-Dihydrobenzo[b][1,4]dioxine-5-carboxylic acid
EC Number	224-670-0
IUPAC Name	2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
InChI	InChI=1S/C9H8O4/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3H,4-5H2,(H,10,11)
InChI Key	VCLSWKVAHAJSFL-UHFFFAOYSA-N
MDL Number	MFCD00239415
Molecular Formula	C9H8O4
Molecular Weight	180.1574
SMILES	O=C(C1=C2C(OCCO2)=CC=C1)O
Synonyms	4442-53-9, 1,4-Benzodioxan-5-carboxylic acid, 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, 2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylic acid, 2,3-Dihydro-1,4-benzodioxin-5-carboxylic acid, 1,4-benzodioxane-5-carboxylic acid, 2,3-Ethylenedioxybenzoic Acid, 2,3-dihydro-1,4-benzodioxane-5-carboxylic acid, 2,3-dihydrobenzo[1,4]dioxine-5-carboxylic acid, 2,3-Dihydro-benzo[1,4]dioxine-5-carboxylic acid, 1,4-Benzodioxan-5-carboxylic acid, 98%, 1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-, 2H,3H-benzo[e]1,4-dioxin-5-carboxylic acid, EINECS 224-670-0, PubChem9877, SDCCGMLS-0065913.P001, AC1L2UOA, ACMC-209jy3, Oprea1_251985, Oprea1_569155, 5-Carboxy-1,4-benzodioxane, KSC236O7T, SCHEMBL251991, AC1Q72R0, AKOS BBV-006198, CTK1D6779, TIMTEC-BB SBB039955, DTXSID90196168, VCLSWKVAHAJSFL-UHFFFAOYSA-N, ACT03237, KS-00000W2K, STR06783, ZINC4255460, AKOS BBS-00002750, ANW-30121, CB-260, MFCD00239415, SBB039955, STK530169, AKOS000126826, AC-2648, AN-3822, AS01162, CS-W009014, MCULE-2003895122, PS-4246, RP03185, RTC-063906, TRA0029725, VZ20638, 5-Carboxy-2,3-dihydro-1,4-benzodioxin, AJ-49756, AK-27656, BP-12062, BR-27656, EN002298, SC-04536, SY002387, AB0012917, DB-005066, ST2415683, TC-063906, AM20061168, B3864, FT-0601133, ST50212962, EN300-43357, 2,3-Dihydro-1,4-benzodioxine-5-carboxylicacid, M-2624, MFCD00239415 (97+%), 1,4-Benzodioxin-5-carboxylicacid, 2,3-dihydro-, 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid., 442B539, J-507005, S04-0017, I01-20249, F8889-7531, Z1250083006, 7,10-DIOXABICYCLO[4.4.0]DECA-1,3,5-TRIENE-2-CARBOXYLIC ACID, 53E, C9H8O4, C9-H8-O4, CID78184, ACN-039682, H185, 113100-53-1,

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	1.2

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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