AG00FFC6

68634-02-6 | Methyl 1-oxo-2,3-dihydro-1H-indene-5-carboxylate

AG00FFC6

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CAS Number	68634-02-6
Catalog Number	AG00FFC6(AGN-PC-0N3F0X)
Chemical Name	Methyl 1-oxo-2,3-dihydro-1H-indene-5-carboxylate
IUPAC Name	methyl 1-oxo-2,3-dihydroindene-5-carboxylate
InChI	InChI=1S/C11H10O3/c1-14-11(13)8-2-4-9-7(6-8)3-5-10(9)12/h2,4,6H,3,5H2,1H3
InChI Key	YYKBHCRUMAMBPY-UHFFFAOYSA-N
MDL Number	MFCD09263429
Molecular Formula	C11H10O3
Molecular Weight	190.1953
SMILES	COC(=O)C1=CC=C2C(=O)CCC2=C1
Synonyms	Methyl 1-oxo-2,3-dihydro-1H-indene-5-carboxylate, 68634-02-6, Methyl 1-oxoindan-5-carboxylate, AK105863, 1H-Indene-5-carboxylic acid, 2,3-dihydro-1-oxo-, methyl ester, 1-oxo-indan-5-carboxylic acid methyl ester, Methyl 1-oxo-2,3-dihydroindene-5-carboxylate, SCHEMBL883773, AMOT0808, CTK1J1886, KS-00000QQK, DTXSID70438876, methyl 1-oxoindane-5-carboxylate, YYKBHCRUMAMBPY-UHFFFAOYSA-N, 0596AC, MFCD09263429, ZINC38672266, AKOS016009266, CM-2310, DS-3370, FCH1158876, AJ-96825, DA-04285, SC-45808, AX8239526, FT-0729325, 1H-INDENE-5-CARBOXYLIC ACID,2,3-DIHYDRO-1-OXO-,MET, C11H10O3, ACN-041043, CID10375253,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.198g/mol
Monoisotopic Mass	190.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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