5-(Methoxycarbonyl)-1H-pyrazole-3-carboxylic acid - CAS 54866-86-3
Catalog: |
BB042888 |
Product Name: |
5-(Methoxycarbonyl)-1H-pyrazole-3-carboxylic acid |
CAS: |
54866-86-3 |
Synonyms: |
3-(Methoxycarbonyl)-1H-pyrazole-5-carboxylic acid; SCHEMBL1267225; SBB025981 |
IUPAC Name: | 5-methoxycarbonyl-1H-pyrazole-3-carboxylic acid |
Description: | 5-(Methoxycarbonyl)-1H-pyrazole-3-carboxylic acid (CAS# 54866-86-3 ) is a useful research chemical. |
Molecular Weight: | 170.12 |
Molecular Formula: | C6H6N2O4 |
Canonical SMILES: | COC(=O)C1=CC(=NN1)C(=O)O |
InChI: | InChI=1S/C6H6N2O4/c1-12-6(11)4-2-3(5(9)10)7-8-4/h2H,1H3,(H,7,8)(H,9,10) |
InChI Key: | VZUHHVCEVDUQHQ-UHFFFAOYSA-N |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.03275668 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 92.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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