AG0036B2

880-87-5 | 5,7-Dimethoxyindan-1-one

AG0036B2

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CAS Number	880-87-5
Catalog Number	AG0036B2(AGN-PC-0L9YAU)
Chemical Name	5,7-Dimethoxyindan-1-one
IUPAC Name	5,7-dimethoxy-2,3-dihydroinden-1-one
InChI	InChI=1S/C11H12O3/c1-13-8-5-7-3-4-9(12)11(7)10(6-8)14-2/h5-6H,3-4H2,1-2H3
InChI Key	ZLTCXTRHEQUDGV-UHFFFAOYSA-N
MDL Number	MFCD02684971
Molecular Formula	C11H12O3
Molecular Weight	192.2112
SMILES	COC=1C=C2CCC(C2=C(C1)OC)=O
Synonyms	5,7-Dimethoxyindan-1-one, 880-87-5, 5,7-Dimethoxy-indan-1-one, 5,7-dimethoxy-2,3-dihydro-1H-inden-1-one, 5,7-dimethoxy-1-indanone, 5,7-dimethoxy-2,3-dihydroinden-1-one, 1H-Inden-1-one, 2,3-dihydro-5,7-dimethoxy-, AC1NA1PO, AC1Q4EPW, AMOT0855, SCHEMBL1274286, CTK5F9336, DTXSID30402492, ZLTCXTRHEQUDGV-UHFFFAOYSA-N, ZINC390854, KS-00000F0B, 4040AC, ANW-61762, MFCD02684971, AKOS010641454, ACN-030638, CD-1894, MCULE-8425993159, AC-18668, AJ-21006, AK-30348, ZB011927, DB-077185, TC-066186, FT-0084183, FT-0650088, ST24044128, 1H-Inden-1-one,2,3-dihydro-5,7-dimethoxy-, S-0181, A842462, I14-5679, C11H12O3, CID4370207,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.214g/mol
Monoisotopic Mass	192.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.5A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number