4-(4-Chlorophenyl)-2-(morpholin-4-yl)-4-oxobutanoic acid
Basic information
- CAS
21813-63-8- Standard SMILES
O=C(CC(C(=O)O)N1CCOCC1)c1ccc(Cl)cc1- InChIKey
FPXCVLARBMPLMQ-UHFFFAOYSA-N- Molecular formula
- C14H16ClNO4
- Average molar mass
- 297.73 g/mol
- Monoisotopic mass
- 297.0767857
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)-2-(morpholin-4-yl)-4-oxobutanoic acid
- IUPAC
- 4-(4-chlorophenyl)-2-morpholin-4-yl-4-oxobutanoic acid
Names & synonyms
21813-63-84-(4-chlorophenyl)-2-(morpholin-4-yl)-4-oxobutanoic acidDTXSID10944421RefChem:1069942DTXCID6013727674-Morpholineaceticacid, a-[2-(4-chlorophenyl)-2-oxoethyl]-BRN 12223274-Morpholineacetic acid, alpha-(2-(4-chlorophenyl)-2-oxoethyl)-alpha-(2-(4-Chlorophenyl)-2-oxoethyl)-4-morpholineacetic acidAKOS025397049
Database identifiers
- CAS
21813-63-8- PubChem CID
- 210874
- DTXSID
DTXSID10944421
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
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Compound notes
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