1,3-Dimethyl-1H-pyrazole-4-carboxylic acid - CAS 78703-53-4
Catalog: |
BB036227 |
Product Name: |
1,3-Dimethyl-1H-pyrazole-4-carboxylic acid |
CAS: |
78703-53-4 |
Synonyms: |
1,3-dimethylpyrazole-4-carboxylic acid |
IUPAC Name: | 1,3-dimethylpyrazole-4-carboxylic acid |
Description: | 1,3-Dimethyl-1H-pyrazole-4-carboxylic acid (CAS# 78703-53-4) is a useful research chemical. |
Molecular Weight: | 140.14 |
Molecular Formula: | C6H8N2O2 |
Canonical SMILES: | CC1=NN(C=C1C(=O)O)C |
InChI: | InChI=1S/C6H8N2O2/c1-4-5(6(9)10)3-8(2)7-4/h3H,1-2H3,(H,9,10) |
InChI Key: | YALJPBXSARRWTA-UHFFFAOYSA-N |
Boiling Point: | 299.2 °C at 760 mmHg |
Density: | 1.28 g/cm3 |
MDL: | MFCD00464005 |
LogP: | 0.42670 |
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-112480007-A | Synthetic method of 1, 3-dimethyl-1H-pyrazole-4-carboxylic acid | 20201208 |
CN-212215452-U | Methyl hydrazine feeding system in process of synthesizing pyrazole acid from methyl hydrazine | 20200923 |
WO-2021211922-A1 | Spiro-sulfonimidamide derivatives as inhibitors of myeloid cell leukemia-1 (mcl-1) protein | 20200416 |
CN-110973141-A | Weeding composition, weeding preparation and application thereof | 20191225 |
CN-110973141-B | Weeding composition, weeding preparation and application thereof | 20191225 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.058577502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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Carbonyl Compounds
Pyrazoles
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