1-benzyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid - CAS 171673-00-0
Catalog: |
BB012764 |
Product Name: |
1-benzyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid |
CAS: |
171673-00-0 |
Synonyms: |
6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid; 1-benzyl-6-oxopyridazine-3-carboxylic acid |
IUPAC Name: | 1-benzyl-6-oxopyridazine-3-carboxylic acid |
Description: | 1-benzyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid (CAS# 171673-00-0) is a useful research chemical. |
Molecular Weight: | 230.223 |
Molecular Formula: | C12H10N2O3 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C(=O)O |
InChI: | InChI=1S/C12H10N2O3/c15-11-7-6-10(12(16)17)13-14(11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17) |
InChI Key: | MTSJTBMELMDWBI-UHFFFAOYSA-N |
LogP: | 0.98980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2005020594-A1 | Substituted pyridazinones | 20030718 |
WO-2005007632-A1 | Substituted pyridazinones as inhibitors of p38 | 20030718 |
CA-2474239-A1 | Substituted pyridazinones as inhibitors of p38 | 20020118 |
EP-1470112-A1 | Substituted pyridazinones as inhibitors of p38 | 20020118 |
JP-2005519895-A | Substituted pyridazinones as P38 inhibitors | 20020118 |
Complexity: | 381 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.06914219 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 70 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Pyridazines
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