2-Chloroacrylic acid
PubChem CID: 11735
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| Compound Synonyms | 2-Chloroacrylic acid, 598-79-8, 2-chloroprop-2-enoic acid, Chloroacrylic acid, 2-Propenoic acid, 2-chloro-, alpha-Chloroacrylic acid, 2-CHLOROACRYLICACID, Acrylic acid, 2-chloro-, 2-CHLORO-2-PROPENOIC ACID, .alpha.-Chloroacrylic acid, EINECS 209-953-9, NSC 97174, BRN 1098503, MFCD00014336, N6B9YWM4XU, DTXSID5060514, CHEBI:73963, NSC-97174, UNII-N6B9YWM4XU, SCHEMBL66157, DTXCID3042710, BCP13841, NSC97174, STR09625, LMFA01090069, AKOS006227807, SY151931, DB-053485, CS-0187884, NS00034262, C20609, D93171, EN300-147844, Q27144284, Z1201617183, 209-953-9 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.8 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-chloroprop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C3H3ClO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SZTBMYHIYNGYIA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -0.084 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.91 |
| Compound Name | 2-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 | 0.0 |
| Esol | -1.2029496 |
| Inchi | InChI=1S/C3H3ClO2/c1-2(4)3(5)6/h1H2,(H,5,6) |
| Smiles | C=C(C(=O)O)Cl |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 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