AG005OWU

80096-64-6 | 6-Hydroxy-chroman-4-one

AG005OWU

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CAS Number	80096-64-6
Catalog Number	AG005OWU(AGN-PC-0LWMQ7)
Chemical Name	6-Hydroxy-chroman-4-one
IUPAC Name	6-hydroxy-2,3-dihydrochromen-4-one
InChI	InChI=1S/C9H8O3/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,10H,3-4H2
InChI Key	HTKPIKIGEYFNBY-UHFFFAOYSA-N
MDL Number	MFCD02113988
Molecular Formula	C9H8O3
Molecular Weight	164.1580
SMILES	O=C1CCOC2=C1C=C(O)C=C2
Synonyms	6-HYDROXY-CHROMAN-4-ONE, 80096-64-6, 6-hydroxychroman-4-one, 6-hydroxy-4-chromanone, 6-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one, AK-89654, 6-hydroxy-2,3-dihydro-4H-chromen-4-one, 2,3-Dihydro-6-hydroxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-6-hydroxy-, AC1OFFC2, 6-hydroxy chroman-4-one, AMOT0836, SCHEMBL2981516, CTK3E6404, KS-00000FFZ, DTXSID70427765, HTKPIKIGEYFNBY-UHFFFAOYSA-N, ZINC4100203, 2500AC, ANW-60580, CH-023, FCH845496, MFCD02113988, SBB087780, 6-hydroxy-2,3-dihydrochromen-4-one, AKOS006277993, CS-W006471, 2,3-dihydro-6-hydroxy benzopyran-4-one, AJ-48049, DA-19234, DS-16591, AX8109339, TC-149325, FT-0709799, ST24045403, F2147-8399, C9H8O3, ZINC04100203, ACN-041097, CID7098944,

Complexity	190
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	1
Isotope Atom Count	0
Molecular Weight	164.16g/mol
Monoisotopic Mass	164.047g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.5A^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-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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