AG001X6P

16718-42-6 | 1H-Inden-1-one, 2,3-dihydro-4,5,6-trimethoxy-

AG001X6P

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CAS Number	16718-42-6
Catalog Number	AG001X6P(AGN-PC-025HVP)
Chemical Name	1H-Inden-1-one, 2,3-dihydro-4,5,6-trimethoxy-
IUPAC Name	4,5,6-trimethoxy-2,3-dihydroinden-1-one
InChI	InChI=1S/C12H14O4/c1-14-10-6-8-7(4-5-9(8)13)11(15-2)12(10)16-3/h6H,4-5H2,1-3H3
InChI Key	WAYMAQYXINVUDB-UHFFFAOYSA-N
MDL Number	MFCD00757261
Molecular Formula	C12H14O4
Molecular Weight	222.2372
SMILES	COC1=C(OC)C(OC)=C2CCC(=O)C2=C1
Synonyms	4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-one, 16718-42-6, 1H-Inden-1-one, 2,3-dihydro-4,5,6-trimethoxy-, AK102716, AC1Q4EZO, 4,5,6-trimethoxyindanone, 4,5,6-trimethoxyindan-1-one, SCHEMBL6113045, CTK4D2569, DTXSID20597467, WAYMAQYXINVUDB-UHFFFAOYSA-N, 4,5,6-TRIMETHOXY-INDANONE, KS-00000Q9Z, 8516AA, ANW-65464, MFCD00757261, ZINC19865705, AKOS010641425, DS-3914, AJ-75518, AX8234255, TC-154209, C12H14O4,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.089g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.24g/mol
Monoisotopic Mass	222.089g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number