3-Phosphono-2-butenoic Acid - CAS 4412-12-8
Catalog: |
BB025531 |
Product Name: |
3-Phosphono-2-butenoic Acid |
CAS: |
4412-12-8 |
Synonyms: |
3-phosphono-2-butenoic acid; 3-phosphonobut-2-enoic acid |
IUPAC Name: | 3-phosphonobut-2-enoic acid |
Description: | 3-Phosphono-2-butenoic Acid (CAS# 4412-12-8 ) is a useful research chemical. |
Molecular Weight: | 166.07 |
Molecular Formula: | C4H7O5P |
Canonical SMILES: | CC(=CC(=O)O)P(=O)(O)O |
InChI: | InChI=1S/C4H7O5P/c1-3(2-4(5)6)10(7,8)9/h2H,1H3,(H,5,6)(H2,7,8,9) |
InChI Key: | VFHPKRBLCTUMIO-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2004248913-A1 | (Pyridinyl and pyrimidyl) trienoic acid derivatives as retinoid x receptor modulators | 20010720 |
WO-03007950-A1 | (pyridinyl and pyrimidyl) trienoic acid derivatives as retinoid x receptor modulators | 20010720 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.00311032 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.00311032 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 94.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | -1.6 |
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