beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester

Base Information

• Chemical Name: beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester
• CAS No.: 71720-87-1
• Molecular Formula: C18H15NO5
• Molecular Weight: 325.32
• DSSTox Substance ID: DTXSID2072413
• Nikkaji Number: J446.934H
• Wikidata: Q82000445
• Mol file: 71720-87-1.mol

Synonyms:71720-87-1;beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester;methyl 3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]propanoate;.beta.-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester;CBDivE_012172;DTXSID2072413;SCHEMBL11801972;SR-01000199667;SR-01000199667-1;N-[(9,10-Dihydro-4-hydroxy-9,10-dioxoanthracen)-1-yl]-beta-alanine methyl ester

Chemical Property of beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester

Chemical Property:

• Vapor Pressure: 5.45E-14mmHg at 25°C
• Boiling Point: 578.6°C at 760 mmHg
• Flash Point: 303.8°C
• PSA: 92.70000
• Density: 1.414g/cm³
• LogP: 2.21560
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 325.09502258
• Heavy Atom Count: 24
• Complexity: 520

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O