AG003S6Z

5780-07-4 | MYRISTICIN ALDEHYDE

AG003S6Z

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CAS Number	5780-07-4
Catalog Number	AG003S6Z(AGN-PC-046LIE)
Chemical Name	MYRISTICIN ALDEHYDE
EC Number	227-304-8
IUPAC Name	7-methoxy-1,3-benzodioxole-5-carbaldehyde
InChI	InChI=1S/C9H8O4/c1-11-7-2-6(4-10)3-8-9(7)13-5-12-8/h2-4H,5H2,1H3
InChI Key	LOFRBHZYZCIOJO-UHFFFAOYSA-N
MDL Number	MFCD00016900
Molecular Formula	C9H8O4
Molecular Weight	180.1574
SMILES	COC1=CC(=CC2=C1OCO2)C=O
Synonyms	5780-07-4, Myristicin aldehyde, 3-Methoxy-4,5-methylenedioxybenzaldehyde, 5-methoxypiperonal, 3-Methoxypiperonal, 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-, 7-Methoxy-1,3-benzodioxole-5-carbaldehyde, 7-Methoxy-benzo[1,3]dioxole-5-carbaldehyde, 7-METHOXYBENZO[D][1,3]DIOXOLE-5-CARBALDEHYDE, 7-methoxy-2H-1,3-benzodioxole-5-carbaldehyde, LOFRBHZYZCIOJO-UHFFFAOYSA-N, 7-Methoxybenzo-1,3-dioxole-5-carboxaldehyde, 7-methoxybenzo[1,3]dioxole-5-carbaldehyde, 7-Methoxy-Benzo(1,3)Dioxole-5-Carbaldehyde, 7-methoxy-2H-benzo[d]1,3-dioxolene-5-carbaldehyde, Myristicinaldehyd, AC1L2JKT, AC1Q48AT, myristicin aldehyde, AldrichCPR, SCHEMBL1418594, CHEMBL3577782, DTXSID9064001, CTK1G7652, ACN-S001921, ZINC2146907, EINECS 227-304-8, 5957AE, BBL027823, SBB018552, STK667579, AKOS000289320, MCULE-8723569120, NE35827, VZ27010, 3-methoxy-4,5methylenedioxybenzaldehyde, NCGC00323064-01, AC-10297, CJ-33026, SC-86861, AI3-24290, DB-008316, ST4144189, TR-055491, CS-0036206, 7-Methoxy-1,3-benzodioxole-5-carbaldehyde #, 7-methoxybenzo [d]1,3-dioxolane-5-carboaldehyde, 82933-EP2298758A1, 82933-EP2298759A1, 82933-EP2305664A1, AB01318510-02, 7-METHYOXY-1,3-BENZODIOXOLE-5-CARBOXALDEHYDE, Myristic aldehyde, C9H8O4, CID22016, MFCD00016900, MFCD00021401, ZINC02146907, ACN-001921, 7-methoxy-1,3-benzodioxole-5-carboxaldehyde,

Complexity	194
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	0
Isotope Atom Count	0
Molecular Weight	180.159g/mol
Monoisotopic Mass	180.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.8A^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	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number