6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid - CAS 869941-96-8
Catalog: |
BB050608 |
Product Name: |
6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
CAS: |
869941-96-8 |
Synonyms: |
6-Methyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid; Pyrazolo[1,5-a]pyrimidine-3-carboxylicacid, 6-methyl-; Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 6-methyl- |
IUPAC Name: | 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
Description: | 6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CAS# 869941-96-8 ) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C8H7N3O2 |
Canonical SMILES: | CC1=CN2C(=C(C=N2)C(=O)O)N=C1 |
InChI: | InChI=1S/C8H7N3O2/c1-5-2-9-7-6(8(12)13)3-10-11(7)4-5/h2-4H,1H3,(H,12,13) |
InChI Key: | JCNOXGKQXXFWCM-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 1.49 g/cm3 |
Appearance: | Solid |
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: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.053826475 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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