802589-80-6
3-(2,6-DIMETHYL-4-OXO-1,4-DIHYDRO-PYRIMIDIN-5-YL)-PROPIONIC ACID
Name3-(2,6-DIMETHYL-4-OXO-1,4-DIHYDRO-PYRIMIDIN-5-YL)-PROPIONIC ACID
1Identification
【Name】
3-(2,6-DIMETHYL-4-OXO-1,4-DIHYDRO-PYRIMIDIN-5-YL)-PROPIONIC ACID
【CAS】
【MDL】
MFCD07838413
【English Synonyms】
【Formula】
C9 H12 N2 O3
【MolWeight】
196.205
【Inchi】
InChI=1S/C9H12N2O3/c1-5-7(3-4-8(12)13)9(14)11-6(2)10-5/h3-4H2,1-2H3,(H,12,13)(H,10,11,14)
【InChIKey】
InChIKey=LEQWIISCIONADN-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)nc([nH]1)C)CCC(=O)O
【MOL File】
3-(2,6-DIMETHYL-4-OX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2,6-DIMETHYL-4-OXO-1,4-DIHYDRO-PYRIMIDIN-5-YL)-PROPIONIC ACID.cml