Ethyl 2-(Hydroxyimino)-3-oxobutanoate - CAS 5408-04-8
Catalog: |
BB028490 |
Product Name: |
Ethyl 2-(Hydroxyimino)-3-oxobutanoate |
CAS: |
5408-04-8 |
Synonyms: |
(E)-3-hydroxy-2-nitroso-2-butenoic acid ethyl ester; ethyl (E)-3-hydroxy-2-nitrosobut-2-enoate |
IUPAC Name: | ethyl (E)-3-hydroxy-2-nitrosobut-2-enoate |
Description: | Ethyl 2-(Hydroxyimino)-3-oxobutanoate (CAS# 5408-04-8) is a compound useful in organic synthesis. |
Molecular Weight: | 159.14 |
Molecular Formula: | C6H9NO4 |
Canonical SMILES: | CCOC(=O)C(=C(C)O)N=O |
InChI: | InChI=1S/C6H9NO4/c1-3-11-6(9)5(7-10)4(2)8/h8H,3H2,1-2H3/b5-4+ |
InChI Key: | HVTHITHXCDMTDK-SNAWJCMRSA-N |
Boiling Point: | 266.1 ℃ at 760 mmHg |
Density: | 1.22 g/cm3 |
MDL: | MFCD00039517 |
LogP: | -0.03130 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 159.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.05315777 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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