AG01DU6H

140869-27-8 | 7-Methoxy-3,3-Dimethyl-2,3-Dihydro-1H-Inden-1-One

AG01DU6H

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CAS Number	140869-27-8
Catalog Number	AG01DU6H(AGN-PC-0NECUF)
Chemical Name	7-Methoxy-3,3-Dimethyl-2,3-Dihydro-1H-Inden-1-One
IUPAC Name	7-methoxy-3,3-dimethyl-2H-inden-1-one
InChI	InChI=1S/C12H14O2/c1-12(2)7-9(13)11-8(12)5-4-6-10(11)14-3/h4-6H,7H2,1-3H3
InChI Key	AQBDPYQXJHXLJT-UHFFFAOYSA-N
MDL Number	MFCD29761186
Molecular Formula	C12H14O2
Molecular Weight	190.2384
SMILES	O=C1CC(C)(C)C2=C1C(OC)=CC=C2
Synonyms	7-Methoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one, 140869-27-8, SCHEMBL20478886, ZINC34599573, FCH4302171, AX8271073, CID11008719, 7-methoxy-3,3-dimethyl-2H-inden-1-one,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.099g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.242g/mol
Monoisotopic Mass	190.099g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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