Ethyl 3-(3-methyl-1H-pyrazol-1-yl)propanoate - CAS 1006348-52-2
Catalog: |
BB047764 |
Product Name: |
Ethyl 3-(3-methyl-1H-pyrazol-1-yl)propanoate |
CAS: |
1006348-52-2 |
Synonyms: |
ethyl 3-(3-methylpyrazolyl)propanoate |
IUPAC Name: | ethyl 3-(3-methylpyrazol-1-yl)propanoate |
Description: | Ethyl 3-(3-methyl-1H-pyrazol-1-yl)propanoate (CAS# 1006348-52-2 ) is a useful research chemical. |
Molecular Weight: | 182.22 |
Molecular Formula: | C9H14N2O2 |
Canonical SMILES: | CCOC(=O)CCN1C=CC(=N1)C |
InChI: | InChI=1S/C9H14N2O2/c1-3-13-9(12)5-7-11-6-4-8(2)10-11/h4,6H,3,5,7H2,1-2H3 |
InChI Key: | LBFSCNXEVWPLTQ-UHFFFAOYSA-N |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.105527694 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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