2-(Hydroxyimino)-3-phenylpropanoic Acid - CAS 3682-17-5
Catalog: |
BB060864 |
Product Name: |
2-(Hydroxyimino)-3-phenylpropanoic Acid |
CAS: |
3682-17-5 |
Synonyms: |
α-(Hydroxyimino)benzenepropanoic Acid;2-(Hydroxyimino)-3-phenylpropanoic Acid;2-Oximino-3-phenylpropionic Acid |
IUPAC Name: | (2Z)-2-hydroxyimino-3-phenylpropanoic acid |
Description: | 2-(Hydroxyimino)-3-phenylpropanoic Acid is a mediator of inhibition disruption of CtBP oligomerizationand transcription activities which is overexpressed in tumors and various cancers. |
Molecular Weight: | 179.17 |
Molecular Formula: | C9H9NO3 |
Canonical SMILES: | C1=CC=C(C=C1)CC(=NO)C(=O)O |
InChI: | InChI=1S/C9H9NO3/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H,11,12)/b10-8- |
InChI Key: | PNTMGOUAICFJQK-NTMALXAHSA-N |
References: | Dcona, M. et al. Mol. Pharm.,96, 99 (2019). |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 179.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 69.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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