Phthalideneacetic acid
(2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid
Also Known As: 3-Carboxymethylenephthalide|PHTHALIDENEACETIC ACID|Acetic acid, (3-oxo-1(3H)-isobenzofuranylidene)-|(2Z)-(3-oxo-2-benzofuran-1(3H)-ylidene)acetic acid|KST-1A4993|KST-1A5121|2-(3-oxo-1,3-dihydroisobenzofuran-1-yliden)acetic acid|AI3-18620|(3-Oxo-1(3H)-isobenzofuranylidene)acetic acid|(3-oxo-2-benzofuran-1(3h)-ylidene)acetic acid|2-(3-Oxoisobenzofuran-1(3H)-ylidene)acetic acid|3-Oxo-delta(sup 1,alpha)-phthalanacetic acid|(Z)-2-(3-Oxoisobenzofuran-1(3H)-ylidene)acetic acid|3-Oxo-Delta1, beta-phthalanacetic acid|(2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid|2-(3-oxoisobenzofuranylidene)acetic acid|delta(sup 1,alpha)-Phthalanacetic acid, 3-oxo-|(Z)-3-Oxo-1(3H)-isobenzofuranylideneacetic Acid|BB 0221211|(2Z)-(3-oxo-2-Benzofuran-1(3H)-ylidene)ethanoic Acid|2-[(1Z)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]acetic acid
| Molecular Formula | C10H6O4 |
|---|---|
| Molecular Weight | 190.02661 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.02661 |
| Monoisotopic Mass | 190.02661 |
| Heavy Atoms | 14 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 4829-64-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C/C(=O)O)/OC2=O |
| InChIKey | XKMGDVJBAWUUDZ-YVMONPNESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phthalideneacetic acid (CAS 4829-64-5), with molecular formula C10H6O4 and molecular weight 190.02661 g/mol. IUPAC: (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid.
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