AG003D21

3162-29-6 | 1-(Benzo[d][1,3]dioxol-5-yl)ethanone

AG003D21

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CAS Number	3162-29-6
Catalog Number	AG003D21(AGN-PC-0JLQ5K)
Chemical Name	1-(Benzo[d][1,3]dioxol-5-yl)ethanone
EC Number	221-613-1
IUPAC Name	1-(1,3-benzodioxol-5-yl)ethanone
InChI	InChI=1S/C9H8O3/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3
InChI Key	BMHMKWXYXFBWMI-UHFFFAOYSA-N
MDL Number	MFCD00005831
Molecular Formula	C9H8O3
Molecular Weight	164.1580
NSC Number	21866
SMILES	C1=C(C=CC2=C1OCO2)C(=O)C
UNII	8JG2OH2M57
Synonyms	3162-29-6, 3',4'-(Methylenedioxy)acetophenone, 1-(Benzo[d][1,3]dioxol-5-yl)ethanone, 5-Acetyl-1,3-benzodioxole, 3,4-(Methylenedioxy)acetophenone, 3,4-Methylenedioxyacetophenone, Acetopiperone, 3',4'-Methylenedioxyacetophenone, 1-(1,3-Benzodioxol-5-yl)ethanone, 1-(1,3-Benzodioxol-5-yl)ethan-1-one, Ethanone, 1-(1,3-benzodioxol-5-yl)-, 1-(2H-1,3-benzodioxol-5-yl)ethan-1-one, 1-Benzo[1,3]dioxol-5-yl-ethanone, MFCD00005831, UNII-8JG2OH2M57, 1-(1,3-Benzodioxol-5-yl)-1-ethanone, 8JG2OH2M57, 3,4-Methylenedioxy-acetophenone, BMHMKWXYXFBWMI-UHFFFAOYSA-N, 3,4-METHYLENDIOXYACETOPHENONE, 3,4-Methylenedioxyacetophenone, 98%, Acetopiperon, NSC21866, EINECS 221-613-1, NSC 21866, PubChem13198, 5-Acetyl-1,3-benz, AI3-30572, AC1Q1JYU, AC1Q5EMY, ACMC-209ho2, AC1L2RB7, 3,4-Methylenedioxycetophenone, 5 -acetyl-1,3-benzodioxole, KSC496I1L, MLS000515804, SCHEMBL137979, 3,4-Methylen-dioxy-acetophenon, 3,4-methylenedioxy acetophenone, Jsp005892, CHEMBL1380211, BMHMKWXYXFBWMI-UHFFFAOYSA-, CTK3J6415, TIMTEC-BB SBB007858, DTXSID40185502, OTAVA-BB 1298058, 3', 4'-methylenedioxyacetophenone, 3',4'-methylenedioxy-acetophenone, HMS2268E15, ZINC154661, 3,4-(Methylenedioxy) Acetophenone, 1-acetyl-3,4-methylenedioxybenzene, 4-ACETYLMETHYLENEDIOXYBENZENE, KS-00000WQ8, STR03337, UKRORGSYN-BB BBR-007257, ANW-27168, CM-885, LABOTEST-BB LT00053586, LABOTEST-BB LT03331874, NSC-21866, SBB007858, STL183268, 1-(1,3-benzodioxol-5-yl)-ethanone, 3',4'-(methylenedioxy) acetophenone, 5-acetyl-2H-benzo[d]1,3-dioxolane, 5-acetyl-2H-benzo[d]1,3-dioxolene, 3,4-METHYLENDIOXY ACETOPHENONE, AKOS000119406, AC-9517, AS03929, CS-W010839, FR-0469, FS-3660, MCULE-7797232934, RTR-033576, TRA0046897, 1-(1,3-benzodioxol-5-yl)acetaldehyde, 1-(1,3-Benzodioxol-5-yl)ethanone #, 1-(2H-1,3-benzodioxol-5-yl)ethanone, NCGC00246999-01, AJ-13353, CJ-01356, L410, SC-80665, SMR000112277, ST092311, ZB005850, 3',4'-(Methylenedioxy)acetophenone, 98%, AB0014686, TR-033576, AM20050569, FT-0614104, M0874, ST24026942, AE-508/40226031, I14-1631, W-106888, F0001-0949, Z1245793016, InChI=1/C9H8O3/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3, C9H8O3, 3,4-(Methylenedioxy)-acetophenone, C9-H8-O3, CID76622, AR-1G6935, A5713, M-5801, 3',4'-(Methylenedioxy)acetophenone, 98% - 25G 25g, 3293-32-1,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.047g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.16g/mol
Monoisotopic Mass	164.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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

Lot Number