Basic information
- CAS
51241-27-1- Standard SMILES
COc1ccc(C(O)CC#N)cc1- InChIKey
HQMWYPRJRGJPJV-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 3-Hydroxy-3-(4-methoxyphenyl)propanenitrile
- IUPAC
- 3-hydroxy-3-(4-methoxyphenyl)propanenitrile
- English name
- 3-Hydroxy-3-(4-methoxyphenyl)propanenitrile
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
3-hydroxy-3-(4-methoxyphenyl)propanenitrile51241-27-1NSC137619SCHEMBL6346310DTXSID90300581AKOS000125092NSC-137619EN300-1857714BETA-HYDROXY-4-METHOXYBENZENEPROPANENITRILE4-Methoxy-β-hydroxybenzenepropanenitrileBenzenepropanenitrile, β-hydroxy-4-methoxy-3-(4-Methoxyphenyl)-3-hydroxypropanenitrile
Database identifiers
- CAS
51241-27-1- PubChem CID
- 283246
- DTXSID
DTXSID90300581- Nikkaji
- J384.929E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Chemistry & industry
Suppliers3 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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