3-Phenylpropyl nitrite
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Basic information
- CAS
28537-55-5- Standard SMILES
O=NOCCCc1ccccc1- InChIKey
FYUBBQDVMDPQED-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- 3-Phenylpropyl nitrite
- IUPAC
- 3-phenylpropyl nitrite
- English name
- Nitrous acid hydrocinnamyl ester
- Molecular weight
- 0
Names & synonyms
3-PHENYLPROPYL NITRITE1-Propanol, 3-phenyl-, nitriteBenzenepropanol, nitriteNitrous acid, 3-phenylpropyl ester28537-55-5DTXSID40182758RefChem:95351DTXCID80105249FYUBBQDVMDPQED-UHFFFAOYSA-NSCHEMBL28063065Nitrous acid hydrocinnamyl esterNitrous acid 3-phenylpropyl ester
Show more names
Nitrous acid (3-phenylpropyl) ester
Database identifiers
- CAS
28537-55-5- PubChem CID
- 34272
- DTXSID
DTXSID40182758- Nikkaji
- J101.555I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 122
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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