Basic information
- CAS
85262-96-0- Standard SMILES
O=COCc1ccc2c(c1)OCO2- InChIKey
ZPQGZTFOFQEGAF-UHFFFAOYSA-N- Molecular formula
- C9H8O4
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.04225873
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-5-methanol, formate
- IUPAC
- 1,3-benzodioxol-5-ylmethyl formate
Names & synonyms
1,3-Benzodioxole-5-methanol, formateJ6CA72JCR685262-96-0NSC-405156NSC405156UNII-J6CA72JCR6SCHEMBL669225SCHEMBL669226DTXSID701005753NSC 4051563,4-METHYLENEDIOXYBENZYL FORMATE(2H-1,3-Benzodioxol-5-yl)methyl formate
Show more names
BENZO(D)(1,3)DIOXOL-5-YLMETHYL FORMATE
Database identifiers
- CAS
85262-96-0- PubChem CID
- 101285
- DTXSID
DTXSID701005753- UNII
- J6CA72JCR6
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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