2-Methyl-2-(3-pyridyl)propionic Acid - CAS 169253-35-4
Catalog: |
BB012530 |
Product Name: |
2-Methyl-2-(3-pyridyl)propionic Acid |
CAS: |
169253-35-4 |
Synonyms: |
2-methyl-2-(3-pyridinyl)propanoic acid; 2-methyl-2-pyridin-3-ylpropanoic acid |
IUPAC Name: | 2-methyl-2-pyridin-3-ylpropanoic acid |
Description: | 2-Methyl-2-(3-pyridyl)propionic Acid (CAS# 169253-35-4) is a useful research chemical. |
Molecular Weight: | 165.19 |
Molecular Formula: | C9H11NO2 |
Canonical SMILES: | CC(C)(C1=CN=CC=C1)C(=O)O |
InChI: | InChI=1S/C9H11NO2/c1-9(2,8(11)12)7-4-3-5-10-6-7/h3-6H,1-2H3,(H,11,12) |
InChI Key: | KKTMNUCQFGXDNQ-UHFFFAOYSA-N |
MDL: | MFCD13563031 |
LogP: | 1.44380 |
Publication Number | Title | Priority Date |
US-2020109141-A1 | Amino acid compounds and methods of use | 20181008 |
WO-2020076862-A1 | Amino acid compounds and methods of use | 20181008 |
CN-113195053-A | Amino acid compounds and methods of use | 20181008 |
EP-3863711-A1 | Amino acid compounds and methods of use | 20181008 |
KR-20210101205-A | Amino Acid Compounds and Methods of Use | 20181008 |
PMID | Publication Date | Title | Journal |
16807021 | 20060901 | Diffusion coefficient distribution from NMR-DOSY experiments using Hopfield neural network | Journal of magnetic resonance (San Diego, Calif. : 1997) |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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