2-(3-Amino-4-methyl-1H-pyrazol-1-yl)propanoic acid - CAS 1245772-90-0
Catalog: |
BB053399 |
Product Name: |
2-(3-Amino-4-methyl-1H-pyrazol-1-yl)propanoic acid |
CAS: |
1245772-90-0 |
Synonyms: |
2-(3-amino-4-methylpyrazolyl)propanoic acid |
IUPAC Name: | 2-(3-amino-4-methylpyrazol-1-yl)propanoic acid |
Molecular Weight: | 169.18 |
Molecular Formula: | C7H11N3O2 |
Canonical SMILES: | CC1=CN(N=C1N)C(C)C(=O)O |
InChI: | InChI=1S/C7H11N3O2/c1-4-3-10(9-6(4)8)5(2)7(11)12/h3,5H,1-2H3,(H2,8,9)(H,11,12) |
InChI Key: | OYCHWDRLNJRKHH-UHFFFAOYSA-N |
Boiling Point: | 380.5±32.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.085126602 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 81.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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