3-[Ethyl(hydroxy)phosphoryl]-2-butenoic Acid - CAS 33472-67-2
Catalog: |
BB021733 |
Product Name: |
3-[Ethyl(hydroxy)phosphoryl]-2-butenoic Acid |
CAS: |
33472-67-2 |
Synonyms: |
3-[ethyl(hydroxy)phosphoryl]-2-butenoic acid; 3-[ethyl(hydroxy)phosphoryl]but-2-enoic acid |
IUPAC Name: | (E)-3-[ethyl(hydroxy)phosphoryl]but-2-enoic acid |
Description: | 3-[Ethyl(hydroxy)phosphoryl]-2-butenoic Acid (CAS# 33472-67-2 ) is a useful research chemical. |
Molecular Weight: | 178.12 |
Molecular Formula: | C6H11O4P |
Canonical SMILES: | CCP(=O)(C(=CC(=O)O)C)O |
InChI: | InChI=1S/C6H11O4P/c1-3-11(9,10)5(2)4-6(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10) |
InChI Key: | RZHSSINEDHNUGW-UHFFFAOYSA-N |
LogP: | 1.26510 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 178.03949583 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.03949583 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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