2,5-Dimethyl-1H-pyrrole-3-carboxylic Acid - CAS 57338-76-8
Catalog: |
BB029649 |
Product Name: |
2,5-Dimethyl-1H-pyrrole-3-carboxylic Acid |
CAS: |
57338-76-8 |
Synonyms: |
2,5-dimethyl-1H-pyrrole-3-carboxylic acid; 2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
IUPAC Name: | 2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
Description: | 2,5-Dimethyl-1H-pyrrole-3-carboxylic Acid (CAS# 57338-76-8) is a useful research chemical. |
Molecular Weight: | 139.15 |
Molecular Formula: | C7H9NO2 |
Canonical SMILES: | CC1=CC(=C(N1)C)C(=O)O |
InChI: | InChI=1S/C7H9NO2/c1-4-3-6(7(9)10)5(2)8-4/h3,8H,1-2H3,(H,9,10) |
InChI Key: | VDVWTJFVFQVCFN-UHFFFAOYSA-N |
Boiling Point: | 318.4 °C at 760 mmHg |
Density: | 1.233 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00203874 |
LogP: | 1.32970 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109320499-B | Pyrrole-3-formamide compound and preparation method and application thereof | 20181114 |
EP-3302710-A1 | Mobilizing agents and uses therefor | 20150603 |
US-2018185328-A1 | Mobilizing agents and uses therefor | 20150603 |
WO-2016191811-A1 | Mobilizing agents and uses therefor | 20150603 |
US-10933049-B2 | Mobilizing agents and uses therefor | 20150603 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.06332853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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