AG000MNT

124702-80-3 | 1H-Inden-1-one, 2,3-dihydro-5,6-dihydroxy-

AG000MNT

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CAS Number	124702-80-3
Catalog Number	AG000MNT(AGN-PC-00C9VO)
Chemical Name	1H-Inden-1-one, 2,3-dihydro-5,6-dihydroxy-
IUPAC Name	5,6-dihydroxy-2,3-dihydroinden-1-one
InChI	InChI=1S/C9H8O3/c10-7-2-1-5-3-8(11)9(12)4-6(5)7/h3-4,11-12H,1-2H2
InChI Key	WMDAUVLSCBKCBO-UHFFFAOYSA-N
MDL Number	MFCD12756505
Molecular Formula	C9H8O3
Molecular Weight	164.1580
SMILES	OC1=C(O)C=C2C(=O)CCC2=C1
Synonyms	5,6-Dihydroxy-2,3-dihydro-1H-inden-1-one, 124702-80-3, 5,6-DIHYDROXYINDAN-1-ONE, 2,3-dihydro-5,6-dihydroxyinden-1-one, 1H-Inden-1-one, 2,3-dihydro-5,6-dihydroxy-, 5,6-dihydroxy-1-indanone, AK-49336, 5,6-dihydroxyindanone, ACMC-20a59f, 5,6-dihydroxy-indan-1-one, SCHEMBL2932814, CTK0F7105, KS-00000OQD, DTXSID00469097, WMDAUVLSCBKCBO-UHFFFAOYSA-N, CS-B1192, 4702AA, ANW-57745, MFCD12756505, ZINC35881892, AKOS016001454, FCH1185342, AJ-92204, AM806876, AN-32683, DS-15018, AX8212596, ST2405966, TC-146490, 4CH-017781, C9H8O3, 5,6-dihydroxy-2,3-dihydroinden-1-one, CID11593487, 5,6-Dihydroxy-indan-1-one; Dihydroxyindanone,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.047g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	164.16g/mol
Monoisotopic Mass	164.047g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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