AG0028UB

20332-16-5 | 6-AMINO-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID

AG0028UB

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CAS Number	20332-16-5
Catalog Number	AG0028UB(AGN-PC-0LWHIY)
Chemical Name	6-AMINO-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID
IUPAC Name	6-amino-1,3-benzodioxole-5-carboxylic acid
InChI	InChI=1S/C8H7NO4/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-2H,3,9H2,(H,10,11)
InChI Key	OJTOAMSTANUUMJ-UHFFFAOYSA-N
MDL Number	MFCD00016650
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
SMILES	O=C(C1=C(N)C=C(OCO2)C2=C1)O
Synonyms	20332-16-5, 6-Aminobenzo[d][1,3]dioxole-5-carboxylic acid, 6-amino-1,3-benzodioxole-5-carboxylic acid, 6-AMINO-2H-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID, 6-Amino-benzo[1,3]dioxole-5-carboxylic acid, OJTOAMSTANUUMJ-UHFFFAOYSA-N, 1,3-Benzodioxole-5-carboxylic acid, 6-amino-, 6-amino-2H-benzo[d]1,3-dioxolane-5-carboxylic acid, AC1OEW07, AC1Q50SJ, SCHEMBL7018429, CTK1A4313, KS-00000FCQ, DTXSID70427705, HMS1759K07, ZINC3888941, 0416AB, MFCD00016650, SBB018967, STK667467, AKOS005169644, AB01210, MCULE-5167123950, NE43551, AJ-47345, AK116417, BS-13763, ST4145799, BB 0257620, ST24045108, 1,3-Benzodioxole-5-carboxylicacid, 6-amino-, EN300-15140, A58181, J-518245, Z169512030, C8H7NO4, CID7064068, 6-aminobenzo[1,3]dioxole-5-carboxylic Acid,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	81.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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