AG002VZJ

28657-75-2 | Ethanone, 1-(6-amino-1,3-benzodioxol-5-yl)-

AG002VZJ

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CAS Number	28657-75-2
Catalog Number	AG002VZJ(AGN-PC-0JLMN5)
Chemical Name	Ethanone, 1-(6-amino-1,3-benzodioxol-5-yl)-
EC Number	249-131-7
IUPAC Name	1-(6-amino-1,3-benzodioxol-5-yl)ethanone
InChI	InChI=1S/C9H9NO3/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8/h2-3H,4,10H2,1H3
InChI Key	DWTHYSZSRJOMSC-UHFFFAOYSA-N
MDL Number	MFCD00075855
Molecular Formula	C9H9NO3
Molecular Weight	179.1727
SMILES	CC(C1=C(N)C=C(OCO2)C2=C1)=O
Synonyms	28657-75-2, 1-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethanone, 6'-Amino-3',4'-(methylenedioxy)acetophenone, 1-(6-amino-1,3-benzodioxol-5-yl)ethanone, 2-Amino-4,5-methylenedioxyacetophenone, 1-(6-Amino-2H-1,3-Benzodioxol-5-Yl)Ethan-1-One, 2'-Amino-4',5'-(methylenedioxy)acetophenone, 1-(6-Amino-1,3-benzodioxol-5-yl)ethan-1-one, 6-Amino-3,4-methylenedioxyacetophenone, 2'-Amino-4',5'-methylenedioxyacetophenone, MLS000037536, DWTHYSZSRJOMSC-UHFFFAOYSA-N, 5-Acetyl-6-amino-1,3-benzodioxole, SMR000035343, Ethanone, 1-(6-amino-1,3-benzodioxol-5-yl)-, 5-acetyl-6-amino-2H-benzo[d]1,3-dioxolene, EINECS 249-131-7, PubChem3253, AC1L3PVQ, AC1Q1JYW, AC1Q5DOR, ACMC-209h3w, AC1Q1JG3, SCHEMBL209949, cid_120000, CHEMBL1416743, BDBM46441, CTK4G1846, DTXSID00182815, HMS2424B23, ZINC154822, 6-Acetyl-1,3-benzodioxole-5-amine, ANW-26442, BBL012599, CA-450, MFCD00075855, SBB007568, STK397878, AKOS000120572, MCULE-5112015058, NE11188, VZ21825, KS-000015O0, 2-amino-4,5-methylenedioxy acetophenone, AJ-13394, SC-03127, ST059635, TS-02494, ZB005895, AB0098814, AB1008570, TC-115187, 1-(6-azanyl-1,3-benzodioxol-5-yl)ethanone, A1356, EU-0066608, FT-0638793, ST24026934, 1-(6-amino-benzo[1,3]dioxol-5-yl)-ethanone, Ethanone,1-(6-amino-1,3-benzodioxol-5-yl)-, 1-(6-amino-2H-1,3-benzodioxol-5-yl)ethanone, AK-968/41018841, SR-01000597215, I01-5838, SR-01000597215-1, F0850-6815, Z104442602, 1-(2-chlorophenyl)-N-(3,4-dimethoxybenzyl)-5-pyridin-4-yl-1H-1,2,3-triazole-4-carboxamide, C9-H9-N-O3, KST-1B2789, AR-1B2494, CID120000, ZINC00154822, 29505-79-1,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.175g/mol
Monoisotopic Mass	179.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number