[5-(Methoxycarbonyl)-1H-pyrazol-1-yl]acetic acid - CAS 1245808-23-4
Catalog: |
BB053273 |
Product Name: |
[5-(Methoxycarbonyl)-1H-pyrazol-1-yl]acetic acid |
CAS: |
1245808-23-4 |
Synonyms: |
2-(5-(Methoxycarbonyl)-1H-pyrazol-1-yl)acetic acid; 2-[5-(methoxycarbonyl)pyrazolyl]acetic acid |
IUPAC Name: | 2-(5-methoxycarbonylpyrazol-1-yl)acetic acid |
Molecular Weight: | 184.15 |
Molecular Formula: | C7H8N2O4 |
Canonical SMILES: | COC(=O)C1=CC=NN1CC(=O)O |
InChI: | InChI=1S/C7H8N2O4/c1-13-7(12)5-2-3-8-9(5)4-6(10)11/h2-3H,4H2,1H3,(H,10,11) |
InChI Key: | SZOWYLCXUSMPTG-UHFFFAOYSA-N |
Boiling Point: | 369.9±22.0 °C at 760 mmHg |
Density: | 1.4±0.1 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: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.04840674 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.04840674 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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