2-Nonenoic acid
PubChem CID: 5312586
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| Compound Synonyms | 2-Nonenoic acid, (E)-Non-2-enoic acid, 3760-11-0, trans-2-Nonenoic acid, 14812-03-4, Nonylenic acid, (E)-2-nonenoic acid, 2-Nonenoic acid, (2E)-, 2-Nonenylic acid, (2E)-2-Nonenoic acid, 2E-nonenoic acid, (E)-2-NONENOICACID, C9:1n-7, alpha-Nonenoic acid, 93232CN67V, 29830-11-3, Nonenoic acid, .alpha.-Nonenoic acid, 2-NONENOICACID, UNII-S720RNV6ZF, 2-Nonenoic acid, (E)-, Non-2-enoic acid, (E)-, UNII-93232CN67V, 3E-nonenoic acid, EINECS 223-171-5, MFCD00014020, NSC 32357, trans-non-2-enoic acid, (2E)-non-2-enoic acid, S720RNV6ZF, SCHEMBL289330, SCHEMBL415229, FEMA NO. 3954, 2-NONENOIC ACID, TRANS-, CHEBI:143910, EINECS 249-885-7, LMFA01030443, (E)-2-NONENOIC ACID [FHFI], AKOS006230171, FN35588, HY-W127468, AS-44377, CS-0185697, N0426, NS00120035, A11728, Q27271549 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-non-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C9H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ADLXTJMPCFOTOO-BQYQJAHWSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.406 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.776 |
| Compound Name | 2-Nonenoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 156.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 156.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.2476453999999997 |
| Inchi | InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7+ |
| Smiles | CCCCCC/C=C/C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients