Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-

Base Information

• Chemical Name: Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-
• CAS No.: 66178-06-1
• Molecular Formula: C11H12O5
• Molecular Weight: 224.21
• DSSTox Substance ID: DTXSID20216363
• Nikkaji Number: J1.863.577A
• Wikidata: Q76152888
• Mol file: 66178-06-1.mol

Synonyms:(S)-alpha-Benzylmalic acid;Benzyl alpha-(S)-malate;4-(Phenylmethyl) (S)-hydroxybutanedioate;66178-06-1;Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-;(2S)-4-(BENZYLOXY)-2-HYDROXY-4-OXOBUTANOIC ACID;SCHEMBL3062373;DTXSID20216363;IBFHVVYOZSCYNN-VIFPVBQESA-N;LS-45749;(S)-2-Hydroxybutanedioic acid 4-benzyl ester;EN300-1132062;(S)-3-(benzyloxycarbonyl)-2-hydroxypropanoic acid;(2S)-4-(BENZYLOXY)-2-HYDROXY-4-OXOBUTANOICACID

Chemical Property of Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-

Chemical Property:

• Vapor Pressure: 5.66E-09mmHg at 25°C
• Boiling Point: 452.4°Cat760mmHg
• Flash Point: 180.1°C
• Density: 1.336g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 224.06847348
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)CC(C(=O)O)O
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)O)O