2-(1H-Pyrrol-1-yl)butanoic acid - CAS 63794-75-2
Catalog: |
BB032278 |
Product Name: |
2-(1H-Pyrrol-1-yl)butanoic acid |
CAS: |
63794-75-2 |
Synonyms: |
2-pyrrol-1-ylbutanoic acid |
IUPAC Name: | 2-pyrrol-1-ylbutanoic acid |
Description: | 2-(1H-Pyrrol-1-yl)butanoic acid (CAS# 63794-75-2) is a useful research chemical. |
Molecular Weight: | 153.18 |
Molecular Formula: | C8H11NO2 |
Canonical SMILES: | CCC(C(=O)O)N1C=CC=C1 |
InChI: | InChI=1S/C8H11NO2/c1-2-7(8(10)11)9-5-3-4-6-9/h3-7H,2H2,1H3,(H,10,11) |
InChI Key: | BAAAPDYRIGZLBL-UHFFFAOYSA-N |
Boiling Point: | 275.9 °C at 760 mmHg |
Density: | 1.11 g/cm3 |
LogP: | 1.52380 |
Publication Number | Title | Priority Date |
WO-2016175879-A1 | Microporous/mesoporous carbon | 20150430 |
EP-3098217-A1 | Method for producing optically active carboxylic acid ester | 20140203 |
US-2017008820-A1 | Method for producing optically active carboxylic acid ester | 20140203 |
US-9796640-B2 | Method for producing optically active carboxylic acid ester | 20140203 |
US-2013102536-A1 | Compositions and methods for modulating toll-like receptor 2 activation | 20100608 |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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