Dimethyl 1-isopropyl-1H-pyrazole-3,5-dicarboxylate - CAS 1071588-63-0
Catalog: |
BB051047 |
Product Name: |
Dimethyl 1-isopropyl-1H-pyrazole-3,5-dicarboxylate |
CAS: |
1071588-63-0 |
Synonyms: |
1H-Pyrazole-3,5-dicarboxylic acid, 1-(1-methylethyl)-, 3,5-dimethyl ester; 1-Isopropyl-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester |
IUPAC Name: | dimethyl 1-propan-2-ylpyrazole-3,5-dicarboxylate |
Molecular Weight: | 226.23 |
Molecular Formula: | C10H14N2O4 |
Canonical SMILES: | CC(C)N1C(=CC(=N1)C(=O)OC)C(=O)OC |
InChI: | InChI=1S/C10H14N2O4/c1-6(2)12-8(10(14)16-4)5-7(11-12)9(13)15-3/h5-6H,1-4H3 |
InChI Key: | PKIBDUJITQQPHT-UHFFFAOYSA-N |
Boiling Point: | 317.4±22.0°C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.09535693 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.09535693 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 70.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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