Basic information
- CAS
56638-07-4- Standard SMILES
O=C(O)CCOCCCl- InChIKey
WVDOQTVCVIQGQO-UHFFFAOYSA-N- Molecular formula
- C5H9ClO3
- Average molar mass
- 152.57 g/mol
- Monoisotopic mass
- 152.02402183
Names & identifiers
- Preferred name
- 3-(2-Chloroethoxy)propanoic acid
- IUPAC
- 3-(2-chloroethoxy)propanoic acid
- English name
- Propanoic acid, 3-(2-chloroethoxy)-
- Molecular formula
- C5H9ClO3
- Molecular weight
- 152.58
Names & synonyms
3-(2-chloroethoxy)propanoic acid56638-07-43-(2-chloro-ethoxy)-propionic acidNSC400117SCHEMBL580425DTXSID20321966WVDOQTVCVIQGQO-UHFFFAOYSA-NAKOS006386181NSC-400117DS-013769Cl-PEG1-acidPropanoic acid, 3-(2-chloroethoxy)-
Database identifiers
- CAS
56638-07-4- PubChem CID
- 343680
- DTXSID
DTXSID20321966
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.3
Physicochemical properties
- Boiling point
- 271.2 · 271.2±20.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- pka
- 4.26 · 4.26±0.10(Predicted)
Chemistry & industry
Suppliers6 total
吉林中科研伸科技有限公司18143011203 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
Xian confluore Biological Technology Co., Ltd.+86-15680926068 · [email protected]
西安康福诺生物科技有限公司+86-156-80926068 +86-15680926068 · [email protected]
上海研纷生化科技有限公司17721070236 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
10 records
Compound notes
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