Spiro(2.4)heptan-4-ol, carbanilate
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Basic information
- CAS
73928-08-2- Standard SMILES
O=C(Nc1ccccc1)OC1CCCC12CC2- InChIKey
MHTOTGKLDPSBIU-UHFFFAOYSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.12592879
Names & identifiers
- Preferred name
- Spiro(2.4)heptan-4-ol, carbanilate
- IUPAC
- spiro[2.4]heptan-7-yl N-phenylcarbamate
- English name
- Carbanilic acid spiro[2.4]heptan-4-yl ester
- Molecular formula
- C14H17NO2
- Molecular weight
- 231.29
Names & synonyms
Spiro(2.4)heptan-4-ol, carbanilateSpiro[2.4]heptan-4-ol, carbanilateRefChem:1098926Spiro[2.4]heptan-4-ol, phenylcarbamate73928-08-2Spiro(2.4)heptan-4-ol, phenylcarbamateNSC 87815NSC87815DTXSID801384946NSC-87815Spiro[2.4]heptan-4-yl phenylcarbamateCarbanilic acid spiro[2.4]heptan-4-yl ester
Show more names
Spiro[2.4]heptan-4-ol, phenylcarbamate (9CI)
Database identifiers
- CAS
73928-08-2- PubChem CID
- 98190
- DTXSID
DTXSID801384946- Nikkaji
- J59.542J
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 319.2 · 319.2±11.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 13.68 · 13.68±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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