Basic information
- CAS
69736-33-0- Standard SMILES
O=CC(=O)c1cccc(OCc2ccccc2)c1- InChIKey
LJAKFMSOCUUCEE-UHFFFAOYSA-N- Molecular formula
- C15H12O3
- Average molar mass
- 240.25 g/mol
- Monoisotopic mass
- 240.07864424
Names & identifiers
- Preferred name
- 2-(3-(Benzyloxy)phenyl)-2-oxoacetaldehyde
- IUPAC
- 2-oxo-2-(3-phenylmethoxyphenyl)acetaldehyde
- English name
- 3-Benzyloxyphenylglyoxal hydrate
- Molecular formula
- C15H14O4
- Molecular weight
- 258.27
Names & synonyms
2-(3-(Benzyloxy)phenyl)-2-oxoacetaldehyde3-Benzyloxyphenyl glyoxalSCHEMBL11561702DTXSID00989902LJAKFMSOCUUCEE-UHFFFAOYSA-N[3-(Benzyloxy)phenyl](oxo)acetaldehydeZinc042044153-Benzyloxyphenylglyoxal hydrate3-Benzyloxyphenylglyoxal hydrate 95%3-BENZYLOXYPHENYLGLYOXAL HYDRATE, 95+%2-oxo-2-(3-phenylmethoxyphenyl)acetaldehyde hydrateEthanone, 2,2-dihydroxy-1-[3-(phenylmethoxy)phenyl]-
Database identifiers
- CAS
69736-33-0- PubChem CID
- 13458031
- DTXSID
DTXSID00989902
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Boiling point
- 416.759 · 416.759±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.581 · 10.581±0.41(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2942000090 · 2942000090
Safety & regulation
Safety data
- hs_code
- 2942000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Suppliers6 total
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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