AG0032ED

70918-53-5 | (R)-1,4-Benzodioxane-2-carboxylic acid

AG0032ED

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CAS Number	70918-53-5
Catalog Number	AG0032ED(AGN-PC-0OGY2F)
Chemical Name	(R)-1,4-Benzodioxane-2-carboxylic acid
IUPAC Name	(3R)-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)/t8-/m1/s1
InChI Key	HMBHAQMOBKLWRX-MRVPVSSYSA-N
MDL Number	MFCD00239407
Molecular Formula	C9H8O4
Molecular Weight	180.1574
SMILES	O1[C@H](COC2=C1C=CC=C2)C(=O)O
Synonyms	70918-53-5, (R)-1,4-Benzodioxane-2-carboxylic acid, (R)-2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid, (R)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylic acid, (2r)-2,3-Dihydro-1,4-Benzodioxine-2-Carboxylic Acid, (R)-1,4-Benzodioxan-2-carboxylic acid, (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid, (R)-2,3-Dihydro-1,4-benzodioxin-2-carboxylic acid, 1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, (2R)-, AK-44069, (R)-1,4-Benzodioxan-2-CarboxylicAcid, PubChem11674, AC1LEJ6H, SCHEMBL566636, CTK2H7205, ZINC54812, DTXSID80350737, HMBHAQMOBKLWRX-MRVPVSSYSA-N, ACT05055, BCP15476, ANW-48051, MFCD00239407, AKOS016842394, ACN-039614, AS06640, CB-1021, FCH1122239, WT81982, (R)-1,4-Benzodioxan 2-carboxylic acid, (r)-1,4-benzodioxane 2-carboxylic acid, AC-30247, AJ-09202, AN-37670, AS-37657, BR-44069, SC-69587, AB0007294, AX8022315, TC-136796, A9322, FT-0630207, ST24020701, W8006, S-5493, 918B535, (2R)-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid, (R)-2,3-dihydrobenzo[1,4]dioxine-2-carboxylic acid, I14-11793, 1,4-Benzodioxin-2-carboxylicacid, 2,3-dihydro-, (2R)-, UNII-T9Z56HV1B0 component HMBHAQMOBKLWRX-MRVPVSSYSA-N, (R)-1,4-Benzodioxane-2-carboxylic acid, >=97.0% (sum of enantiomers, GC), C9H8O4, CID687062, CB10717, CDS1_000297, 15N,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	1.4

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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