4,7-DIMETHYLPYRAZOLO(1,5-A)PYRIMIDINE-3-CARBOXYLIC ACID - CAS 175201-51-1
Catalog: |
BB043295 |
Product Name: |
4,7-DIMETHYLPYRAZOLO(1,5-A)PYRIMIDINE-3-CARBOXYLIC ACID |
CAS: |
175201-51-1 |
Synonyms: |
BUTTPARK 52\04-98; 2,7-DIMETHYLPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID; 4,7-DIMETHYLPYRAZOLO(1,5-A)PYRIMIDINE-3-CARBOXYLIC ACID |
IUPAC Name: | 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid |
Description: | 4,7-DIMETHYLPYRAZOLO(1,5-A)PYRIMIDINE-3-CARBOXYLIC ACID (CAS# 175201-51-1 ) is a useful research chemical. |
Molecular Weight: | 191.19 |
Molecular Formula: | C9H9N3O2 |
Canonical SMILES: | CC1=NN2C(=C(C=NC2=C1)C(=O)O)C |
InChI: | InChI=1S/C9H9N3O2/c1-5-3-8-10-4-7(9(13)14)6(2)12(8)11-5/h3-4H,1-2H3,(H,13,14) |
InChI Key: | CACYYYIWDACOAQ-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.069476538 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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