Basic information
- CAS
53313-95-4- Standard SMILES
N#CC(O)c1cccc(O)c1- InChIKey
ATGRXWCYTKIXIC-UHFFFAOYSA-N- Molecular formula
- C8H7NO2
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.04767847
Names & identifiers
- Preferred name
- Hydroxy(3-hydroxyphenyl)acetonitrile
- IUPAC
- 2-hydroxy-2-(3-hydroxyphenyl)acetonitrile
- English name
- 3-Hydroxym and elonitrile
- Molecular formula
- C8H7NO2
- Molecular weight
- 149.15
Names & synonyms
53313-95-4hydroxy(3-hydroxyphenyl)acetonitrileDTXSID70967919RefChem:1087044DTXCID6013955133-Hydroxymandelonitrilem-Hydroxymandelonitrile2-hydroxy-2-(3-hydroxyphenyl)acetonitrileMANDELONITRILE, m-HYDROXY-Benzeneacetonitrile, alpha,3-dihydroxy-orb1985722SCHEMBL3496129
Show more names
3-Hydroxym and elonitrileBenzeneacetonitrile, α,3-dihydroxy-
AKOS009471127DB-294346T33176AT-159/43484298
Database identifiers
- CAS
53313-95-4- PubChem CID
- 40729
- DTXSID
DTXSID70967919- Nikkaji
- J61.667B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 111 · 111-112°C
- solubility
- Methanol (Slightly)
- form
- Solid
- color
- Pale Yellow to Very Dark Yellow
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers11 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
河北朵放科技有限公司13127301785 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
郑州如科生物科技有限公司15981811963 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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