3-Methylpyrrole-2-carboxylic Acid - CAS 90724-57-5
Catalog: |
BB039936 |
Product Name: |
3-Methylpyrrole-2-carboxylic Acid |
CAS: |
90724-57-5 |
Synonyms: |
3-methyl-1H-pyrrole-2-carboxylic acid; 3-methyl-1H-pyrrole-2-carboxylic acid |
IUPAC Name: | 3-methyl-1H-pyrrole-2-carboxylic acid |
Description: | 3-Methylpyrrole-2-carboxylic Acid (CAS# 90724-57-5) is a useful research chemical. |
Molecular Weight: | 125.13 |
Molecular Formula: | C6H7NO2 |
Canonical SMILES: | CC1=C(NC=C1)C(=O)O |
InChI: | InChI=1S/C6H7NO2/c1-4-2-3-7-5(4)6(8)9/h2-3,7H,1H3,(H,8,9) |
InChI Key: | YIVHOQIKHMTVRG-UHFFFAOYSA-N |
Boiling Point: | 322.4 °C at 760 mmHg |
Density: | 1.295 g/cm3 |
LogP: | 1.02130 |
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 |
CN-111116446-A | Synthetic process method of 3-substituted-1H-pyrrole | 20200114 |
WO-2020243559-A1 | Pressure sensitive adhesives made from uv curing of plant oil-based polyesters | 20190531 |
WO-2020123855-A1 | Inhibitor compounds for male contraception | 20181212 |
WO-2019141131-A1 | Bromodomain inhibitor compound and use thereof | 20180116 |
EP-3741758-A1 | Bromodomain inhibitor compound and use thereof | 20180116 |
PMID | Publication Date | Title | Journal |
17109213 | 20070101 | Aqueous-soluble, non-reversible lipid conjugate of salmon calcitonin: synthesis, characterization and in vivo activity | Pharmaceutical research |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.047678466 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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