(1-Cyclopentyl-1H-pyrazol-5-yl)acetic acid - CAS 1328640-57-8
Catalog: |
BB052023 |
Product Name: |
(1-Cyclopentyl-1H-pyrazol-5-yl)acetic acid |
CAS: |
1328640-57-8 |
Synonyms: |
2-(1-Cyclopentyl-1H-pyrazol-5-yl)acetic acid; 2-(1-cyclopentylpyrazol-5-yl)acetic acid |
IUPAC Name: | 2-(2-cyclopentylpyrazol-3-yl)acetic acid |
Molecular Weight: | 194.23 |
Molecular Formula: | C10H14N2O2 |
Canonical SMILES: | C1CCC(C1)N2C(=CC=N2)CC(=O)O |
InChI: | InChI=1S/C10H14N2O2/c13-10(14)7-9-5-6-11-12(9)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,13,14) |
InChI Key: | IUTBWMYYKPBPCN-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: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.105527694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Nitrogen Compounds
Oxygen Compounds
Pyrazoles
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