(2E)-3-(1,5-Dimethyl-1H-pyrazol-4-yl)acrylic acid - CAS 689251-96-5
Catalog: |
BB046824 |
Product Name: |
(2E)-3-(1,5-Dimethyl-1H-pyrazol-4-yl)acrylic acid |
CAS: |
689251-96-5 |
Synonyms: |
(E)-3-(1,5-dimethyl-1h-pyrazol-4-yl)acrylic acid; (2E)-3-(1,5-dimethylpyrazol-4-yl)prop-2-enoic acid; (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid; 3-(1,5-dimethyl-1H-pyrazol-4-yl)acrylic acid |
IUPAC Name: | (E)-3-(1,5-dimethylpyrazol-4-yl)prop-2-enoic acid |
Description: | (2E)-3-(1,5-Dimethyl-1H-pyrazol-4-yl)acrylic acid (CAS# 689251-96-5 ) is a useful research chemical. |
Molecular Weight: | 166.18 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | CC1=C(C=NN1C)C=CC(=O)O |
InChI: | InChI=1S/C8H10N2O2/c1-6-7(3-4-8(11)12)5-9-10(6)2/h3-5H,1-2H3,(H,11,12)/b4-3+ |
InChI Key: | CBOKTROFJZJRKQ-ONEGZZNKSA-N |
Boiling Point: | 325.0±27.0 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.2±0.1 g/cm3 |
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: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 166.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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Related Functional Groups
Alkenes
Carbonyl Compounds
Pyrazoles
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