Heliotropine butane-2,3-diol acetal
Basic information
- CAS
6412-69-7- Standard SMILES
CC1OC(c2ccc3c(c2)OCO3)OC1C- InChIKey
DBRCQKKPPIQWBT-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Names & identifiers
- Preferred name
- Heliotropine butane-2,3-diol acetal
- IUPAC
- 5-(4,5-dimethyl-1,3-dioxolan-2-yl)-1,3-benzodioxole
Names & synonyms
Heliotropine butane-2,3-diol acetal6412-69-7UNII-7Y4ZV19ZDP7Y4ZV19ZDP1,3-Benzodioxole, 5-(4,5-dimethyl-1,3-dioxolan-2-yl)-1,3-Dioxolane, 4,5-dimethyl-2-(3,4-(methylenedioxy)phenyl)-NSC 15692NSC-15692NSC15692DTXSID00280148Q272690095-(4,5-Dimethyl-1,3-dioxolan-2-yl)-2H-1,3-benzodioxole
Database identifiers
- CAS
6412-69-7- PubChem CID
- 225856
- DTXSID
DTXSID00280148- UNII
- 7Y4ZV19ZDP
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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