AG003N19

569-31-3 | 6,7-Dimethoxyisobenzofuran-1(3H)-one

AG003N19

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CAS Number	569-31-3
Catalog Number	AG003N19(AGN-PC-0JL8GL)
Chemical Name	6,7-Dimethoxyisobenzofuran-1(3H)-one
EC Number	209-311-8
IUPAC Name	6,7-dimethoxy-3H-2-benzofuran-1-one
InChI	InChI=1S/C10H10O4/c1-12-7-4-3-6-5-14-10(11)8(6)9(7)13-2/h3-4H,5H2,1-2H3
InChI Key	ORFFGRQMMWVHIB-UHFFFAOYSA-N
MDL Number	MFCD00219354
Molecular Formula	C10H10O4
Molecular Weight	194.1840
NSC Number	35547
SMILES	O=C1OCC2=C1C(OC)=C(OC)C=C2
UNII	MK5R222CG0
Synonyms	meconin, 569-31-3, Meconin, 6,7-dimethoxyisobenzofuran-1(3H)-one, 6,7-Dimethoxy-3H-1-isobenzofuranone, Opianyl, 6,7-Dimethoxyphthalide, Mekonin, Meconic lactone, MECONINE, Maconine, 6,7-Dimethoxy-1(3H)-isobenzofuranone, 6,7-Dimethoxy-2-benzofuran-1(3H)-one, UNII-MK5R222CG0, NSC 35547, 1(3H)-Isobenzofuranone, 6,7-dimethoxy-, MK5R222CG0, 6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-one, ORFFGRQMMWVHIB-UHFFFAOYSA-N, NSC35547, MFCD00219354, 6,7-dimethoxy-3H-isobenzofuran-1-one, EINECS 209-311-8, Phthalide,7-dimethoxy-, AC1Q4DUF, AC1Q6HPE, 6,7-Dimethoxy-Phthalide, ChemDiv1_018723, AC1L29QA, Phthalide, 6,7-dimethoxy-, MLS001049120, DivK1c_003507, SCHEMBL698750, CHEMBL1333869, HMS640D01, DTXSID60205433, HMS2267N03, ZINC161294, 6,7-dimethoxy 3H-isobenzofuranone, BCP16837, KS-00000DE3, 6419AJ, FCH830732, KM0047, NSC-35547, 1(3H)-Isobenzofuranone,7-dimethoxy-, AKOS001376922, AN-2347, CM11111, MCULE-7938847283, TRA0071228, 6,7-dimethoxy-3H-2-benzofuran-1-one, CDS1_002467, 6,7-dimethoxyisobenzofuran-1 (3H)-one, NCGC00246213-01, AC-25607, AJ-15697, AK142390, AM807365, CJ-01960, CS-11421, SMR000386950, SY020123, 6,7-dimethoxy-isobenzo-furan-1 (3H)-one, AX8282225, DB-072220, TC-066243, CS-0028244, FT-0651929, MFCD00219354 (97+%), AE-641/30608025, SR-01000388929, I14-5187, SR-01000388929-1, C10H10O4, CID68437, AR-1K9236, ACN-034328, C10-H10-O4, 68781-13-5,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.186g/mol
Monoisotopic Mass	194.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number