1-(3-Chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic Acid - CAS 63674-66-8
Catalog: |
BB070312 |
Product Name: |
1-(3-Chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic Acid |
CAS: |
63674-66-8 |
Synonyms: |
1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid; 1-(3-Chloro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid; 1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid |
IUPAC Name: | 1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid |
Description: | 1-(3-Chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic Acid |
Molecular Weight: | 253.68 |
Molecular Formula: | C12H12ClNO3 |
Canonical SMILES: | CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)O)Cl |
InChI: | InChI=1S/C12H12ClNO3/c1-7-2-3-9(5-10(7)13)14-6-8(12(16)17)4-11(14)15/h2-3,5,8H,4,6H2,1H3,(H,16,17) |
InChI Key: | MYNNLWVFRWATKE-UHFFFAOYSA-N |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.0505709 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.0505709 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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