3-Methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde - CAS 21487-48-9
Catalog: |
BB016910 |
Product Name: |
3-Methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde |
CAS: |
21487-48-9 |
Synonyms: |
3-methyl-1-phenylpyrazole-4-carbaldehyde |
IUPAC Name: | 3-methyl-1-phenylpyrazole-4-carbaldehyde |
Description: | 3-Methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde (CAS# 21487-48-9) is a useful research chemical. |
Molecular Weight: | 186.21 |
Molecular Formula: | C11H10N2O |
Canonical SMILES: | CC1=NN(C=C1C=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C11H10N2O/c1-9-10(8-14)7-13(12-9)11-5-3-2-4-6-11/h2-8H,1H3 |
InChI Key: | CVCOOKQWHMGEDQ-UHFFFAOYSA-N |
Boiling Point: | 326.5 °C at 760 mmHg |
Density: | 1.13 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02705915 |
LogP: | 1.99320 |
Publication Number | Title | Priority Date |
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Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.079312947 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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