4-Methoxy-3-(methoxymethoxy)benzaldehyde
Basic information
- CAS
5779-98-6- Standard SMILES
COCOc1cc(C=O)ccc1OC- InChIKey
XALCXORBYJTCRY-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- 4-Methoxy-3-(methoxymethoxy)benzaldehyde
- IUPAC
- 4-methoxy-3-(methoxymethoxy)benzaldehyde
- English name
- 4-Methoxy-3-methoxymethoxy-benzaldehyde
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
4-methoxy-3-(methoxymethoxy)benzaldehyde5779-98-6benzaldehyde, 4-methoxy-3-(methoxymethoxy)-DTXSID60348697RefChem:293844DTXCID90299769InChI=1/C10H12O4/c1-12-7-14-10-5-8(6-11)3-4-9(10)13-2/h3-6H,7H2,1-2H4-methoxy-3-methoxymethoxy-benzaldehydeMFCD211953554-methoxy-3-methoxymethoxybenzaldehydebenzaldehyde,4-methoxy-3-(methoxymethoxy)-SCHEMBL3394561
Show more names
4-Methoxy-3-(methoxy)benzaldehyde4-methoxy-3-(methoxy)benzenemethylaldehyde
XALCXORBYJTCRY-UHFFFAOYSA-NAKOS014700831SB85419AS-64109SY235002M3066T72650F828291
Database identifiers
- CAS
5779-98-6- PubChem CID
- 640152
- DTXSID
DTXSID60348697- Nikkaji
- J3.217.267I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 32 °C · 32°C(lit.)
- Boiling point
- 130 °C/0.2mmHg · 130°C/0.2mmHg(lit.)
- Density
- 1.14 · 1.140±0.06 g/cm3(Predicted)
- solubility
- soluble in Toluene
- form
- powder to crystal
- color
- White to Light yellow
- HS Code
- 2912.49 · 2912.49.2600
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
- 2912.49.2600
Related reactions
4 records
Compound notes
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