4-Methoxybenzaldehyde
Showing entry for 4-Methoxybenzaldehyde
Identification
- PhytoHub ID
- PHUB001268
- Name
- 4-Methoxybenzaldehyde
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 136.1479
- Monoisotopic Mass
- 136.0524295
- Chemical Formula
- C8H8O2
- IUPAC Name
- anisaldehyde
- InChI Key
- ZRSNZINYAWTAHE-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
- SMILES
COC1=CC=C(C=O)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.71e+00 g/l
- LogS (ALOGPS)
- -1.90
- LogP (ALOGPS)
- 1.64
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 2
- Polar Surface Area
- 26.3
- Refractivity
- 39.105199999999996
- Polarizability
- 14.004704886707895
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.835276846406351
- pKa (strongest acidic)
- Not Available
External Links
No external links
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Cyanidin 3-O-glucoside | Polyphenols | Flavonoids | Anthocyanins | Show Precursor |
Spectra
No spectra information available
Food Sources
| Precursor | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Cyanidin 3-O-glucoside | Blackberry | Fruit, Berries | Publications | Show | |
| Cyanidin 3-O-glucoside | Lettuce | Vegetables, Leaf vegetables | Publications | Show | |
| Cyanidin 3-O-glucoside | Olive, black | Fruit, Drupes | Publications | Show | |
| Cyanidin 3-O-glucoside | Pomegranate juice | Beverages, Non-alcoholic | Publications | Show | |
| Cyanidin 3-O-glucoside | Strawberry | Fruit, Berries | Publications | Show | |
| Cyanidin 3-O-glucoside | Sweet cherry | Fruit, Drupes | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Cyanidin 3-O-glucoside | 4-Methoxybenzaldehyde | human | faeces | C8H8O2 | 136.0524295 | Publications |
4-Methoxybenzaldehyde