Basic information
- CAS
64466-51-9- Standard SMILES
COc1ccc(OC)c(C=O)c1O- InChIKey
TVMMXJBGOHHJBA-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- 2-Hydroxy-3,6-dimethoxy-benzaldehyde
- IUPAC
- 2-hydroxy-3,6-dimethoxybenzaldehyde
- English name
- 2-Hydroxy-3,6-dimethoxy-benzaldehyde
- Molecular formula
- C9H10O4
- Molecular weight
- 182.17
Names & synonyms
64466-51-92-Hydroxy-3,6-dimethoxy-benzaldehydeDTXSID90428279RefChem:261640DTXCID103791132-hydroxy-3,6-dimethoxybenzaldehydeSCHEMBL2750347TVMMXJBGOHHJBA-UHFFFAOYSA-NAKOS006272814DB-127777CS-0250437EN300-5086940
Show more names
Benzaldehyde, 2-hydroxy-3,6-dimethoxy-
Z3227034404
Database identifiers
- CAS
64466-51-9- PubChem CID
- 7172133
- DTXSID
DTXSID90428279- Nikkaji
- J1.367.651H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 68 · 68-69 °C(Solv: methanol (67-56-1))
- Boiling point
- 306.2 · 306.2±37.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 7.8 · 7.80±0.15(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
珠海奥博凯生物医药技术有限公司400-0628126
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
2 records
Compound notes
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