1-(2-Nitrophenyl)cyclobutanecarboxylic Acid - CAS 422280-54-4
Catalog: |
BB025081 |
Product Name: |
1-(2-Nitrophenyl)cyclobutanecarboxylic Acid |
CAS: |
422280-54-4 |
Synonyms: |
1-(2-nitrophenyl)-1-cyclobutanecarboxylic acid; 1-(2-nitrophenyl)cyclobutane-1-carboxylic acid |
IUPAC Name: | 1-(2-nitrophenyl)cyclobutane-1-carboxylic acid |
Description: | 1-(2-Nitrophenyl)cyclobutanecarboxylic Acid (CAS# 422280-54-4 ) is a useful research chemical. |
Molecular Weight: | 221.21 |
Molecular Formula: | C11H11NO4 |
Canonical SMILES: | C1CC(C1)(C2=CC=CC=C2[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C11H11NO4/c13-10(14)11(6-3-7-11)8-4-1-2-5-9(8)12(15)16/h1-2,4-5H,3,6-7H2,(H,13,14) |
InChI Key: | QHVGCSMSRCZUDC-UHFFFAOYSA-N |
LogP: | 2.62430 |
Publication Number | Title | Priority Date |
EP-1330432-A2 | Substituted alkanoic acids | 20001104 |
JP-2004521868-A | Substituted alkanoic acid | 20001104 |
JP-3786203-B2 | Substituted alkanoic acid | 20001104 |
US-2004006056-A1 | Substituted alkanoic acids | 20001104 |
US-7166616-B2 | Substituted alkanoic acids | 20001104 |
Complexity: | 306 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.06880783 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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