AG003M81

32703-79-0 | 5-(tert-Butyl)isobenzofuran-1,3-dione

AG003M81

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CAS Number	32703-79-0
Catalog Number	AG003M81(AGN-PC-0JLO5E)
Chemical Name	5-(tert-Butyl)isobenzofuran-1,3-dione
EC Number	251-165-2
IUPAC Name	5-tert-butyl-2-benzofuran-1,3-dione
InChI	InChI=1S/C12H12O3/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13/h4-6H,1-3H3
InChI Key	YLJYVKLZVHWUCT-UHFFFAOYSA-N
MDL Number	MFCD00060127
Molecular Formula	C12H12O3
Molecular Weight	204.2219
SMILES	O=C1OC(C2=C1C=CC(C(C)(C)C)=C2)=O
Synonyms	32703-79-0, 4-tert-Butylphthalic anhydride, 5-(tert-Butyl)isobenzofuran-1,3-dione, 5-tert-butyl-2-benzofuran-1,3-dione, MFCD00060127, AK114619, EINECS 251-165-2, 4-t-butylphthalic anhydride, AC1L3VJ2, AC1Q6H8K, ACMC-1AO20, 1,3-Isobenzofurandione, 5-(1,1-dimethylethyl)-, 4-t-butyl phthalic anhydride, 4-t-butyl-phthalic anhydride, 4-tert-Butylphthalicanhydride, SCHEMBL1545970, CTK4G9153, DTXSID30186381, YLJYVKLZVHWUCT-UHFFFAOYSA-N, 5-tert-butylisobenzofuran-1,3-dione, ANW-27413, 4-tert-Butylphthalic anhydride, 95%, AKOS015916355, ZINC100014525, 4-tert-Butylphthalic anhydride; >97%, TRA0027088, VZ29742, ACM32703790, ACM40496933, CC-20460, 5-tert-Butyl-2-benzo[b]furan-1,3-dione, 5-(tert-butyl)isobenzo[b]furan-1,3-dione, AX8013894, DB-048249, ST2411678, TX-017093, AM20040176, FT-0619471, FT-0695646, 1,3-Isobenzofurandione,5-(1,1-dimethylethyl)-, C-09980, 5-tert-butyl-1,3-dihydro-2-benzofuran-1,3-dione, 4-tert-Butyl-1,2-benzenedicarboxylic acid; Anhydride, I14-50924, InChI=1/C12H12O3/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13/h4-6H,1-3H, AR-1G9504, CID122930, C12-H12-O3, B1337, 40496-93-3, 33538-86-2,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.079g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.225g/mol
Monoisotopic Mass	204.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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