2-Methyl-4-pentenoic acid
PubChem CID: 549519
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| Compound Synonyms | 2-Methyl-4-pentenoic acid, 2-Methylpent-4-enoic acid, 1575-74-2, 4-Pentenoic acid, 2-methyl-, FEMA No. 3511, 2-Methylpent-4-en-1-oic acid, UNII-29HK385L3G, 2-methylpent-4-enoate, 29HK385L3G, EINECS 216-404-7, MFCD00015570, HVRZYSHVZOELOH-UHFFFAOYSA-, DTXSID00883698, .ALPHA.-METHYL-4-PENTENOIC ACID, 2-METHYL-4-PENTENOIC ACID [FHFI], (+/-)-2-METHYL-4-PENTENOIC ACID, 2-METHYL-4-PENTENOIC ACID, (+/-)-, Methylallylacetic acid, 2-Methylpent-4-enoicacid, 2-methyl-pent-4-enoic acid, SCHEMBL415118, CHEBI:89267, FEMA 3511, DTXCID40836002, LMFA01030972, s6167, ALPHA-METHYL-4-PENTENOIC ACID, AKOS006222558, CS-W013638, HY-W012922, LS-13148, PD124171, SY048335, 2-Methyl-4-pentenoic acid, >=98%, FG, M1143, NS00048600, EN300-85203, P20511, Q27161453 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Description | It is used as a food additive . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.7 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylpent-4-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C6H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HVRZYSHVZOELOH-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.821 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.671 |
| Synonyms | 2-Methyl-4-pentenoic acid, 2-Methylpent-4-en-1-oic acid, 2-Methylpent-4-enoic acid, FEMA 3511, Methylallylacetic acid |
| Compound Name | 2-Methyl-4-pentenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 114.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 114.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 114.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2316927999999998 |
| Inchi | InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8) |
| Smiles | CC(CC=C)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients