Basic information
- CAS
14894-77-0- Standard SMILES
COc1cc(OC)c(OC)cc1C#N- InChIKey
QYLMOMNYCPHSJW-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- 2,4,5-Trimethoxybenzonitrile
- IUPAC
- 2,4,5-trimethoxybenzonitrile
- English name
- 2,4,5-TRIMETHOXYBENZONITRILE
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
2,4,5-Trimethoxybenzonitrile14894-77-0DTXSID70358681RefChem:245579DTXCID90309736MFCD00017530Benzonitrile,2,4,5-trimethoxy-Benzonitrile, 2,4,5-trimethoxy-MLS001049133SCHEMBL1343373CHEMBL1312912QYLMOMNYCPHSJW-UHFFFAOYSA-N
Show more names
HMS2268J16AKOS001121483FT70580AS-44273SMR000386959SY084574DB-042960CS-0308526
Database identifiers
- CAS
14894-77-0- PubChem CID
- 910015
- DTXSID
DTXSID70358681- ChEMBL
CHEMBL1312912- EC Number
- 192-289-6
- Nikkaji
- J2.997.849B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 112 · 112-114°C
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2926907090
Chemistry & industry
Suppliers8 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
3 records
Compound notes
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