5-(Methoxymethyl)-2-furaldehyde
PubChem CID: 74711
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| Compound Synonyms | 1917-64-2, 5-(methoxymethyl)furan-2-carbaldehyde, 5-(METHOXYMETHYL)-2-FURALDEHYDE, 5-(Methoxymethyl)-2-furancarboxaldehyde, 2-Furancarboxaldehyde, 5-(methoxymethyl)-, 5-methoxymethylfurfural, 5-Methoxymethyl furfural, 5XBV4H5CX7, MFCD02253954, DTXSID30172704, EC 700-511-5, ICCB1_000090, 5-(Methoxymethyl)furan-2-carboxaldehyde, UNII-5XBV4H5CX7, 5-Methoxymethyl-2-furaldehyde, SCHEMBL721921, ghl.PD_Mitscher_leg0.1250, DTXCID3095195, ASHVULSQMDWKFO-UHFFFAOYSA-N, CHEBI:229022, BBL100202, GEO-03173, STK346968, 5-(methoxymethyl)uran-2-carbaldehyde, AKOS000304216, AC-22970, AS-20105, FM149914, CS-0150190, NS00002428, 5-(Methoxymethyl)-2-furaldehyde, AldrichCPR, EN300-92334, Q6555445, Z1198159985, 700-511-5 |
|---|---|
| Topological Polar Surface Area | 39.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 113.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(methoxymethyl)furan-2-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C7H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ASHVULSQMDWKFO-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -0.609 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.992 |
| Compound Name | 5-(Methoxymethyl)-2-furaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 140.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 140.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8556555999999997 |
| Inchi | InChI=1S/C7H8O3/c1-9-5-7-3-2-6(4-8)10-7/h2-4H,5H2,1H3 |
| Smiles | COCC1=CC=C(O1)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all