76-94-8
5-METHYL-5-PHENYLBARBITURIC ACID
Name5-METHYL-5-PHENYLBARBITURIC ACID
1Identification
【Name】
5-METHYL-5-PHENYLBARBITURIC ACID
【CAS】
【MDL】
MFCD00865290
【English Synonyms】
【Formula】
C11 H10 N2 O3
【MolWeight】
218.211
【Inchi】
InChI=1S/C11H10N2O3/c1-11(7-5-3-2-4-6-7)8(14)12-10(16)13-9(11)15/h2-6H,1H3,(H2,12,13,14,15,16)
【InChIKey】
InChIKey=LSAOZCAKUIANSQ-UHFFFAOYSA-N
【SMILES】
CC1(C(=O)NC(=O)NC1=O)c2ccccc2
【MOL File】
5-METHYL-5-PHENYLBAR….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
5-METHYL-5-PHENYLBARBITURIC ACID.cml