1-(2-Cyanophenyl)azetidine-3-carboxylic acid - CAS 1260874-83-6
Catalog: |
BB068902 |
Product Name: |
1-(2-Cyanophenyl)azetidine-3-carboxylic acid |
CAS: |
1260874-83-6 |
Synonyms: |
1-(2-Cyanophenyl)azetidine-3-carboxylic acid;1-(2-Cyanophenyl)azetidine-3-carboxylicacid |
IUPAC Name: | 1-(2-cyanophenyl)azetidine-3-carboxylic acid |
Description: | 1-(2-Cyanophenyl)azetidine-3-carboxylic acid |
Molecular Weight: | 202.21 |
Molecular Formula: | C11H10N2O2 |
Canonical SMILES: | C1C(CN1C2=CC=CC=C2C#N)C(=O)O |
InChI: | InChI=1S/C11H10N2O2/c12-5-8-3-1-2-4-10(8)13-6-9(7-13)11(14)15/h1-4,9H,6-7H2,(H,14,15) |
InChI Key: | VZKGIBUJPUJLNV-UHFFFAOYSA-N |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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