AC1Leg1W
Basic information
- CAS
650597-67-4- Standard SMILES
COC(=O)[C@H]1COc2ccccc2O1- InChIKey
SNLAAGHHNZECPE-SECBINFHSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- AC1Leg1W
- IUPAC
- methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
Names & synonyms
AC1LEG1W650597-67-4DTXSID80352796RefChem:313927DTXCID00303861SCHEMBL30606872METHYL (2R)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLATE
Database identifiers
- CAS
650597-67-4- PubChem CID
- 735508
- DTXSID
DTXSID80352796- Nikkaji
- J1.995.251G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
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Related reactions
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Compound notes
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