AG002VSE

28596-75-0 | 1H-Inden-1-one, 2,3-dihydro-6-methoxy-7-methyl-

AG002VSE

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CAS Number	28596-75-0
Catalog Number	AG002VSE(AGN-PC-0WAMAA)
Chemical Name	1H-Inden-1-one, 2,3-dihydro-6-methoxy-7-methyl-
IUPAC Name	6-methoxy-7-methyl-2,3-dihydroinden-1-one
InChI	InChI=1S/C11H12O2/c1-7-10(13-2)6-4-8-3-5-9(12)11(7)8/h4,6H,3,5H2,1-2H3
InChI Key	NDURQBPOPGKULU-UHFFFAOYSA-N
MDL Number	MFCD21360124
Molecular Formula	C11H12O2
Molecular Weight	176.2118
SMILES	O=C1CCC2=C1C(C)=C(OC)C=C2
Synonyms	6-Methoxy-7-methyl-2,3-dihydro-1H-inden-1-one, 28596-75-0, AK172742, 6-Methoxy-7-methylindan-1-on, MFCD21360124, AKOS025395783, ZINC238397360, DS-8154, FCH1611408, KS-00000T11, AX8297039, 6-methoxy-7-methyl-2,3-dihydroinden-1-one, 1H-Inden-1-one, 2,3-dihydro-6-methoxy-7-methyl-,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.084g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.215g/mol
Monoisotopic Mass	176.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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