AG002U2D

27550-59-0 | 1,3-Isobenzofurandione, 5-hydroxy-

AG002U2D

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CAS Number	27550-59-0
Catalog Number	AG002U2D(AGN-PC-0JU6WV)
Chemical Name	1,3-Isobenzofurandione, 5-hydroxy-
IUPAC Name	5-hydroxy-2-benzofuran-1,3-dione
InChI	InChI=1S/C8H4O4/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3,9H
InChI Key	PXHIYFMTRHEUHZ-UHFFFAOYSA-N
MDL Number	MFCD00997252
Molecular Formula	C8H4O4
Molecular Weight	164.1150
SMILES	O=C1OC(C2=C1C=CC(O)=C2)=O
Synonyms	5-Hydroxyisobenzofuran-1,3-dione, 27550-59-0, 4-Hydroxyphthalic anhydride, 5-hydroxy-2-benzofuran-1,3-dione, 1,3-Isobenzofurandione,5-hydroxy-, 1,3-isobenzofurandione, 5-hydroxy-, AK153929, 5-HYDROXY-ISOBENZOFURAN-1,3-DIONE, AC1LCZ6N, 4-Hydroxy-phthalic anhydride, SCHEMBL787024, CTK4F9861, DTXSID70348668, 5-Hydroxy-1,3-isobenzofurandione, PXHIYFMTRHEUHZ-UHFFFAOYSA-N, FCH831298, MFCD00997252, STK966364, ZINC98046304, AKOS002687653, CS-W022391, DS-7839, MCULE-3427428269, VZ35478, CC-19574, AX8097996, FT-0692741, V2120, Z-5491, 5-hydroxy-1,3-dihydro-2-benzofuran-1,3-dione, C-34856, InChI=1/C8H4O4/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3,9, C8H4O4, CID639747, 5-Hydroxy-1,3-isobenzofurandione, 98+%,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.011g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.116g/mol
Monoisotopic Mass	164.011g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number