Completing data — usually done within a minute
Basic information
- CAS
21300-07-2- Standard SMILES
COc1ccc(C=O)o1- InChIKey
RJGBSYZFOCAGQY-UHFFFAOYSA-N- Molecular formula
- C6H6O3
- Average molar mass
- 126.11 g/mol
- Monoisotopic mass
- 126.03169405
Names & identifiers
- Preferred name
- 5-Methoxyfuran-2-carbaldehyde
- IUPAC
- 5-methoxyfuran-2-carbaldehyde
Names & synonyms
5-methoxyfuran-2-carbaldehydeRefChem:536727848-102-121300-07-25-Methoxyfuraldehyde2-Furancarboxaldehyde, 5-methoxy-5-methoxyfurfural5-methoxy-furan-2-carbaldehydeSCHEMBL544935-Methoxy-2-furancarboxaldehydeDTXSID00274481RJGBSYZFOCAGQY-UHFFFAOYSA-N
Show more names
WAA30007AKOS017669778AT17092EBC-618190DB-185900EN300-384360Z1309664827
Database identifiers
- CAS
21300-07-2- PubChem CID
- 6208
- DTXSID
DTXSID00274481- EC Number
- 848-102-1
- Nikkaji
- J1.523.686H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 102
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Related reactions
2 records
Compound notes
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