4-Methylpyrazole-3-carboxylic Acid - CAS 82231-51-4
Catalog: |
BB036775 |
Product Name: |
4-Methylpyrazole-3-carboxylic Acid |
CAS: |
82231-51-4 |
Synonyms: |
4-methyl-1H-pyrazole-5-carboxylic acid; 4-methyl-1H-pyrazole-5-carboxylic acid |
IUPAC Name: | 4-methyl-1H-pyrazole-5-carboxylic acid |
Description: | 4-Methylpyrazole-3-carboxylic Acid (CAS# 82231-51-4) is a useful research chemical. |
Molecular Weight: | 126.11 |
Molecular Formula: | C5H6N2O2 |
Canonical SMILES: | CC1=C(NN=C1)C(=O)O |
InChI: | InChI=1S/C5H6N2O2/c1-3-2-6-7-4(3)5(8)9/h2H,1H3,(H,6,7)(H,8,9) |
InChI Key: | FNHVVMJBCILJGA-UHFFFAOYSA-N |
Boiling Point: | 389.2 °C at 760 mmHg |
Density: | 1.404 g/cm3 |
LogP: | 0.41630 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-213611270-U | Washable hydrazine substance feeding device | 20201103 |
CN-111154691-A | Variovorax capable of degrading chitin and application thereof | 20200121 |
KR-20210079318-A | H4 antagonist compounds | 20181019 |
CN-112292183-A | 6-aminopyridin-3-yl-pyrazoles as modulators of ROR γ t | 20180618 |
AU-2018319016-A1 | AHR inhibitors and uses thereof | 20170817 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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