trans-3-Chloroacrylic acid
PubChem CID: 638124
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | trans-3-Chloroacrylic acid, 2345-61-1, 3-Chloroacrylic acid, (E)-3-Chloroacrylic acid, 625-40-1, 2-propenoic acid, 3-chloro-, (2E)-, trans-3-Chloropropenoic acid, (E)-3-chloroprop-2-enoic acid, 2-Propenoic acid, 3-chloro-, (E)-, 3-chloroprop-2-enoic acid, Acrylic acid, 3-chloro-, trans-, Acrylic acid, 3-chloro-, (E)-, trans-beta-Chloroacrylic acid, CCRIS 3546, (E)-3-Chloro-2-propenoic acid, (2E)-3-Chloroprop-2-enoic acid, EINECS 219-070-0, NSC 520953, BRN 1720279, (2E)-3-Chloro-2-propenoic acid, 3-chloro-2E-propenoic acid, DTXSID401030907, 4-02-00-01481 (Beilstein Handbook Reference), 26952-44-3, trans-.beta.-Chloroacrylic acid, (Z)-3-chloroacrylicacid, Acrylic acid, chloro-, propenoic acid, 3-chloro-, (e)-3-chloroacrylicacid, 2-Propenoic acid, chloro-, 2-Propenoic acid,3-chloro-, 2-Propenoic acid, 3-chloro-, MFCD00064237, 3-chloropropenoic acid, trans-3-chloroacrylate, ss--Chloroacrylic acid, 3-chloro-2-propenoic acid, (2E)-3-chloroacrylic acid, CHEBI:19982, DTXCID90911636, trans-3-Chloroacrylic acid, 99%, LMFA01090071, (2E)-3-Chloro-2-propenoic acid #, AKOS006222799, AS-62030, 2-Propenoic acid, 3-chloro-, (E)-(9CI), CS-0204258, NS00082999, C06614, G77768, Q27103077, 219-070-0 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 76.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-chloroprop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C3H3ClO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MHMUCYJKZUZMNJ-OWOJBTEDSA-N |
| Fcsp3 | 0.0 |
| Logs | -0.855 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.145 |
| Compound Name | trans-3-Chloroacrylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 105.982 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 105.982 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 106.51 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -0.8501496 |
| Inchi | InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+ |
| Smiles | C(=C/Cl)\C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ainsliaea Dissecta (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Platycarphella Carlinoides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pulicaria Dysenterica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Uncaria Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients