3-Methoxy-4-nitro-1H-pyrazole-5-carboxylic acid - CAS 161235-54-7
Catalog: |
BB042592 |
Product Name: |
3-Methoxy-4-nitro-1H-pyrazole-5-carboxylic acid |
CAS: |
161235-54-7 |
Synonyms: |
5-methoxy-4-nitro-2H-pyrazole-3-carboxylic Acid; 1H-Pyrazole-3-carboxylicacid, 5-methoxy-4-nitro-; 3-methoxy-4-nitropyrazole-5-carboxylic acid |
IUPAC Name: | 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid |
Description: | 3-Methoxy-4-nitro-1H-pyrazole-5-carboxylic acid (CAS# 161235-54-7 ) is a useful research chemical. |
Molecular Weight: | 187.11 |
Molecular Formula: | C5H5N3O5 |
Canonical SMILES: | COC1=NNC(=C1[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C5H5N3O5/c1-13-4-3(8(11)12)2(5(9)10)6-7-4/h1H3,(H,6,7)(H,9,10) |
InChI Key: | HJFXXMSEEKEXMZ-UHFFFAOYSA-N |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.02292027 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.02292027 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 121 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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