| CAS Number | 78213-00-0 |
| Catalog Number | AG00GCEC(AGN-PC-0UD4TA) |
| Chemical Name | 5-hydroxy-1,3-benzodioxol-2-one |
| IUPAC Name | 5-hydroxy-1,3-benzodioxol-2-one |
| InChI | InChI=1S/C7H4O4/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3,8H |
| InChI Key | OQNUCIIXJQPBRZ-UHFFFAOYSA-N |
| MDL Number | MFCD18451436 |
| Molecular Formula | C7H4O4 |
| Molecular Weight | 152.1043 |
| SMILES | OC1=CC2=C(OC(O2)=O)C=C1 |
| Synonyms | 78213-00-0,
5-hydroxy-2H-1,3-benzodioxol-2-one,
5-Hydroxybenzo[d][1,3]dioxol-2-one,
SCHEMBL10896881,
5-hydroxy-1,3-benzodioxol-2-one,
ZINC59441671,
AKOS006371497,
1,3-Benzodioxol-2-one, 5-hydroxy-,
Z1992316391,
1,3-Benzodioxol-2-one,5-hydroxy-,
1,3-Benzodioxol-2-one, 5-hydroxy-,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.010959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.1g/mol |
| Monoisotopic Mass | 152.010959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number