5-Acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid - CAS 17106-15-9
Catalog: |
BB012709 |
Product Name: |
5-Acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid |
CAS: |
17106-15-9 |
Synonyms: |
5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid |
IUPAC Name: | 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid |
Description: | 5-Acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (CAS# 17106-15-9) is a useful research chemical. |
Molecular Weight: | 181.19 |
Molecular Formula: | C9H11NO3 |
Canonical SMILES: | CC1=C(NC(=C1C(=O)O)C)C(=O)C |
InChI: | InChI=1S/C9H11NO3/c1-4-7(9(12)13)5(2)10-8(4)6(3)11/h10H,1-3H3,(H,12,13) |
InChI Key: | ZGJJSECHXQTROG-UHFFFAOYSA-N |
Boiling Point: | 392.7 °C at 760 mmHg |
Density: | 1.255 g/cm3 |
MDL: | MFCD00982313 |
LogP: | 1.53230 |
Publication Number | Title | Priority Date |
EP-3157938-A1 | Hetero functional binding systems | 20140617 |
US-2017115285-A1 | Hetero functional binding systems | 20140617 |
WO-2015192183-A1 | Hetero functional binding systems | 20140617 |
US-10768176-B2 | Hetero functional binding systems | 20140617 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.07389321 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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