Ethyl 3-Ethoxy-2-butenoate - CAS 998-91-4
Catalog: |
BB042358 |
Product Name: |
Ethyl 3-Ethoxy-2-butenoate |
CAS: |
998-91-4 |
Synonyms: |
3-ethoxy-2-butenoic acid ethyl ester; ethyl 3-ethoxybut-2-enoate |
IUPAC Name: | ethyl (E)-3-ethoxybut-2-enoate |
Description: | Ethyl 3-Ethoxy-2-butenoate (CAS# 998-91-4) is a useful research chemical. |
Molecular Weight: | 158.19 |
Molecular Formula: | C8H14O3 |
Canonical SMILES: | CCOC(=CC(=O)OCC)C |
InChI: | InChI=1S/C8H14O3/c1-4-10-7(3)6-8(9)11-5-2/h6H,4-5H2,1-3H3 |
InChI Key: | ZOCYCSPSSNMXBU-UHFFFAOYSA-N |
Boiling Point: | 86-88 °C (14 torr) |
MDL: | MFCD00026932 |
LogP: | 1.48980 |
GHS Hazard Statement: | H228 (100%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3020287-A1 | Pyrazolo[1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders | 20160406 |
CA-3020305-A1 | Imidazo [1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders | 20160406 |
CA-3020310-A1 | Pyrrolo[1,2-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders | 20160406 |
EP-3440083-A1 | Imidazo [1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders | 20160406 |
JP-2019510790-A | Pyrazolo [1,5-a] pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders | 20160406 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 158.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.094294304 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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