4-(4-Carboxybutyl)benzoic Acid - CAS 412281-97-1
Catalog: |
BB024822 |
Product Name: |
4-(4-Carboxybutyl)benzoic Acid |
CAS: |
412281-97-1 |
Synonyms: |
4-(4-carboxybutyl)benzoic acid; 4-(4-carboxybutyl)benzoic acid |
IUPAC Name: | 4-(4-carboxybutyl)benzoic acid |
Description: | 4-(4-Carboxybutyl)benzoic Acid (CAS# 412281-97-1 ) is a useful research chemical. |
Molecular Weight: | 222.24 |
Molecular Formula: | C12H14O4 |
Canonical SMILES: | C1=CC(=CC=C1CCCCC(=O)O)C(=O)O |
InChI: | InChI=1S/C12H14O4/c13-11(14)4-2-1-3-9-5-7-10(8-6-9)12(15)16/h5-8H,1-4H2,(H,13,14)(H,15,16) |
InChI Key: | ZPVPUPDCZVRBMA-UHFFFAOYSA-N |
LogP: | 2.18220 |
Publication Number | Title | Priority Date |
US-2016193154-A1 | Pharmaceutical Composition for Oral Insulin Administration Comprising a Tablet Core and an Anionic Copolymer Coating | 20130724 |
US-2013157938-A1 | Insulin Derivatives Containing Additional Disulfide Bonds | 20100623 |
US-8853155-B2 | Insulin derivatives containing additional disulfide bonds | 20100623 |
US-2010249095-A1 | Substituted Spiro-amide Compounds | 20090325 |
US-2013231327-A1 | Substituted Spiro-Amide Compounds | 20090325 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.08920892 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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