Methyl 1-propylpyrazole-3-carboxylate - CAS 1171028-49-1
Catalog: |
BB042830 |
Product Name: |
Methyl 1-propylpyrazole-3-carboxylate |
CAS: |
1171028-49-1 |
Synonyms: |
Methyl 1-propyl-1H-pyrazole-3-carboxylate; SBB024722; STK351682 |
IUPAC Name: | methyl 1-propylpyrazole-3-carboxylate |
Description: | Methyl 1-propylpyrazole-3-carboxylate (CAS# 1171028-49-1 ) is a useful research chemical. |
Molecular Weight: | 168.19 |
Molecular Formula: | C8H12N2O2 |
Canonical SMILES: | CCCN1C=CC(=N1)C(=O)OC |
InChI: | InChI=1S/C8H12N2O2/c1-3-5-10-6-4-7(9-10)8(11)12-2/h4,6H,3,5H2,1-2H3 |
InChI Key: | AEOXTUZAVMBILO-UHFFFAOYSA-N |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.08987763 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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