1-(2-Hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid - CAS 39629-89-5
Catalog: |
BB060904 |
Product Name: |
1-(2-Hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid |
CAS: |
39629-89-5 |
Synonyms: |
1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid; 1-(2-HYDROXYPHENYL)-2-PYRROLDINONE-4-CARBOXYLIC ACID; 1-(2-Hydroxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid |
IUPAC Name: | 1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid |
Description: | 1-(2-Hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid |
Molecular Weight: | 221.21 |
Molecular Formula: | C11H11NO4 |
Canonical SMILES: | C1C(CN(C1=O)C2=CC=CC=C2O)C(=O)O |
InChI: | InChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16) |
InChI Key: | FPQOSKXLHCTVED-UHFFFAOYSA-N |
Complexity: | 304 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.06880783 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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