2-Butylpyrazole-3-carbaldehyde - CAS 1345472-13-0
Catalog: |
BB071494 |
Product Name: |
2-Butylpyrazole-3-carbaldehyde |
CAS: |
1345472-13-0 |
Synonyms: |
2-Butylpyrazole-3-carbaldehyde; 1-Butyl-1H-pyrazole-5-carbaldehyde |
IUPAC Name: | 2-butylpyrazole-3-carbaldehyde |
Description: | 2-Butylpyrazole-3-carbaldehyde |
Molecular Weight: | 152.19 |
Molecular Formula: | C8H12N2O |
Canonical SMILES: | CCCCN1C(=CC=N1)C=O |
InChI: | InChI=1S/C8H12N2O/c1-2-3-6-10-8(7-11)4-5-9-10/h4-5,7H,2-3,6H2,1H3 |
InChI Key: | ASHIUVHKQZMLDQ-UHFFFAOYSA-N |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.094963011 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 34.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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