4-(1-Pyrrolidinyl)benzoic acid - CAS 22090-27-3
Catalog: |
BB017363 |
Product Name: |
4-(1-Pyrrolidinyl)benzoic acid |
CAS: |
22090-27-3 |
Synonyms: |
4-pyrrolidin-1-ylbenzoic acid |
IUPAC Name: | 4-pyrrolidin-1-ylbenzoic acid |
Description: | 4-(1-Pyrrolidinyl)benzoic acid (CAS# 22090-27-3) is a useful research chemical. |
Molecular Weight: | 191.23 |
Molecular Formula: | C11H13NO2 |
Canonical SMILES: | C1CCN(C1)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C11H13NO2/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12/h3-6H,1-2,7-8H2,(H,13,14) |
InChI Key: | KPCBFFYRSJPCJH-UHFFFAOYSA-N |
Boiling Point: | 376.9 °C at 760 mmHg |
Density: | 1.221 g/cm3 |
Appearance: | Beige solid |
MDL: | MFCD01631241 |
LogP: | 2.05000 |
GHS Hazard Statement: | H315 (97.5%): 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 |
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Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.094628657 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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Carbonyl Compounds
Pyrrolidines
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