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Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
208
Total Number of Articles : 154
|
| PubChem |
1183
|
| Molecular Formula |
C8H8O3 |
| SMILES |
COC1=C(C=CC(=C1)C=O)O |
| InChI |
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
| synonyms |
- vanillin
- 4-Hydroxy-3-methoxybenzaldehyde
- 121-33-5
- Vanillaldehyde
- Vanillic aldehyde
- p-Vanillin
- Lioxin
- Vanilline
- Vanilla
- 3-Methoxy-4-hydroxybenzaldehyde
- 4-Hydroxy-m-anisaldehyde
- 2-Methoxy-4-formylphenol
- Benzaldehyde, 4-hydroxy-3-methoxy-
- Zimco
- p-Hydroxy-m-methoxybenzaldehyde
- 4-Hydroxy-3-methoxy-benzaldehyde
- Methylprotocatechuic aldehyde
- 4-Formyl-2-methoxyphenol
- Vanilin
- Vanillin (natural)
- 4-Hydroxy-5-methoxybenzaldehyde
- m-Anisaldehyde, 4-hydroxy-
- Protocatechualdehyde, methyl-
- FEMA No. 3107
- vaniline
- Rhovanil
- Protocatechualdehyde 3-methyl ether
- Vanillin (NF)
- NSC 15351
- CCRIS 2687
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| Properties |
| Property |
Value |
| MW |
152.15 g/mol |
| HBD |
1 |
| HBA |
3 |
| Rotatable Bond Count |
2 |
| Exact Mass |
152.047344113 g/mol |
| Monoisotopic Mass |
152.047344113 g/mol |
| Heavy Atom Count |
11 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
135 |
| xlogp |
1.2 |
| Topological Polar Surface Area |
46.5 |
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