4-Hydroxy-2-Methoxybenzaldehyde
PubChem CID: 519541
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| Compound Synonyms | 4-Hydroxy-2-methoxybenzaldehyde, 18278-34-7, 4-Hydroxy-o-anisaldehyde, Benzaldehyde, 4-hydroxy-2-methoxy-, MFCD00051964, 4-Hydroxy-2-methoxybenaldehyde, DTXSID70334061, SCHEMBL37462, MLS000760729, p-hydroxy-o-methoxybenzaldehyde, 2-methoxy-4-hydroxybenzaldehyde, CHEMBL1309669, 2-methoxy-4-hydroxy-benzaldehyde, 4-hydroxy-2-methoxy-benzaldehyde, DTXCID80285151, HMS2764H22, 4-Hydroxy-2-methoxybenzaldehyde #, ALBB-006227, BCP10291, STK503774, AKOS001284090, CS-W016303, FH24199, PS-3220, AC-19108, BP-13155, SMR000370826, SY041931, DB-012201, H1191, EN300-24459, F10509, H13500, AB00651417-06, 4-Hydroxy-o-anisaldehyde, 4-Formyl-3-methoxyphenol, 4-Hydroxy-2-methoxybenzaldehyde, >=98.0% (HPLC), ArgoGel(TM)-MB-CHO, 120-230 mum particle size, Z197510770, 628-847-7 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 135.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08659, O95149, P01215 |
| Iupac Name | 4-hydroxy-2-methoxybenzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C8H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WBIZZNFQJPOKDK-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -1.552 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.215 |
| Compound Name | 4-Hydroxy-2-Methoxybenzaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 152.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0503601636363635 |
| Inchi | InChI=1S/C8H8O3/c1-11-8-4-7(10)3-2-6(8)5-9/h2-5,10H,1H3 |
| Smiles | COC1=C(C=CC(=C1)O)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all