(2E)-3-(1,3-Dimethyl-1H-pyrazol-4-yl)acrylic acid - CAS 514800-75-0
Catalog: |
BB053346 |
Product Name: |
(2E)-3-(1,3-Dimethyl-1H-pyrazol-4-yl)acrylic acid |
CAS: |
514800-75-0 |
Synonyms: |
(2E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic acid; (2E)-3-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic acid |
Molecular Weight: | 166.18 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | CC1=NN(C=C1C=CC(=O)O)C |
InChI: | InChI=1S/C8H10N2O2/c1-6-7(3-4-8(11)12)5-10(2)9-6/h3-5H,1-2H3,(H,11,12)/b4-3+ |
InChI Key: | LZUAQZPCFIJVEV-ONEGZZNKSA-N |
Purity: | 95% |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 166.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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