1,3-Isobenzofurandione, 5-(acetyloxy)-

HCID 639746
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Basic information

CAS
27550-63-6
Standard SMILES
CC(=O)Oc1ccc2c(c1)C(=O)OC2=O
InChIKey
WOMFWGRSYUKSSE-UHFFFAOYSA-N
Molecular formula
C10H6O5
Average molar mass
206.15 g/mol
Monoisotopic mass
206.02152329

Names & identifiers

Preferred name
1,3-Isobenzofurandione, 5-(acetyloxy)-
IUPAC
(1,3-dioxo-2-benzofuran-5-yl) acetate
English name
4-acetoxyphthalicanhydride
Molecular formula
C10H6O5
Molecular weight
206.15164

Names & synonyms

1,3-isobenzofurandione, 5-(acetyloxy)-1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl acetate27550-63-64-ACETOXYPHTHALIC ANHYDRIDE5-acetoxyphthalic anhydride4-acetoxy phthalic anhydrideSCHEMBL4474802WOMFWGRSYUKSSE-UHFFFAOYSA-NDTXSID9012891075-(Acetyloxy)-1,3-isobenzofurandioneAKOS015901249InChI=1/C10H6O5/c1-5(11)14-6-2-3-7-8(4-6)10(13)15-9(7)12/h2-4H,1H
Show more names
Butylphthalide Impurity 544-acetoxyphthalicanhydride

Database identifiers

CAS
27550-63-6
PubChem CID
639746
DTXSID
DTXSID901289107
Nikkaji
J2.652.856I

Properties

Computed structural properties

XLogP
1
Topological polar surface area
69.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
15

Chemistry & industry

Suppliers4 total

上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
武汉卡米克科技有限公司18162538168 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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