1-Methyl-1H-pyrazole-5-acetic Acid - CAS 1071814-44-2
Catalog: |
BB001991 |
Product Name: |
1-Methyl-1H-pyrazole-5-acetic Acid |
CAS: |
1071814-44-2 |
Synonyms: |
2-(2-methyl-3-pyrazolyl)acetic acid; 2-(2-methylpyrazol-3-yl)acetic acid |
IUPAC Name: | 2-(2-methylpyrazol-3-yl)acetic acid |
Description: | 1-Methyl-1H-pyrazole-5-acetic Acid (CAS# 1071814-44-2) is a useful research chemical compound. |
Molecular Weight: | 140.14 |
Molecular Formula: | C6H8N2O2 |
Canonical SMILES: | CN1C(=CC=N1)CC(=O)O |
InChI: | InChI=1S/C6H8N2O2/c1-8-5(2-3-7-8)4-6(9)10/h2-3H,4H2,1H3,(H,9,10) |
InChI Key: | BUEJONJMFDVIMZ-UHFFFAOYSA-N |
MDL: | MFCD18262290 |
LogP: | 0.04720 |
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 |
TW-202010740-A | MCL-1 inhibitors | 20180514 |
US-10703733-B2 | MCL-1 inhibitors | 20180514 |
US-2019352271-A1 | Mcl-1 inhibitors | 20180514 |
WO-2019222112-A1 | Mcl-1 inhibitors | 20180514 |
AU-2019269391-A1 | MCL-1 inhibitors | 20180514 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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