|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
4
Total Number of Articles : 4
|
| PubChem |
10758
|
| Molecular Formula |
C8H7NO |
| SMILES |
C1=CC=C(C=C1)C(C#N)O |
| InChI |
InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H |
| synonyms |
- Mandelonitrile
- 532-28-5
- Benzaldehyde cyanohydrin
- 2-hydroxy-2-phenylacetonitrile
- ALPHA-HYDROXYBENZENEACETONITRILE
- Glycolonitrile, phenyl-
- Benzaldehydkyanhydrin
- Acetonitrile, hydroxyphenyl-
- Nitril kyseliny mandlove
- hydroxy(phenyl)acetonitrile
- Mandelonitrile, (+-)-
- Benzaldehydkyanhydrin [Czech]
- NSC 77668
- Benzeneacetonitrile, .alpha.-hydroxy-
- CCRIS 4656
- Nitril kyseliny mandlove [Czech]
- EINECS 208-532-7
- (+-)-alpha-Hydroxybenzeneacetonitrile
- BRN 2207122
- DTXSID2025422
- CHEBI:16910
- AI3-50437
- .alpha.-Hydroxybenzeneacetonitrile
- UNII-584322E08A
- Benzeneacetonitrile, alpha-hydroxy-
- NSC-77668
- (.+/-.)-Mandelonitrile
- MANDELONITRILE [MI]
- DTXCID705422
- MANDELONITRILE [WHO-DD]
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|
| Properties |
| Property |
Value |
| MW |
133.15 g/mol |
| HBD |
1 |
| HBA |
2 |
| Rotatable Bond Count |
1 |
| Exact Mass |
133.052763847 g/mol |
| Monoisotopic Mass |
133.052763847 g/mol |
| Heavy Atom Count |
10 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
141 |
| xlogp |
1 |
| Topological Polar Surface Area |
44 |
|