129750-87-4
HEXAHYDRO-1,3-DICYCLOHEXYL-ALPHA-METHYL-2,4,6-TRIOXO-5-PYRIMIDINEACETIC ACID
NameHEXAHYDRO-1,3-DICYCLOHEXYL-ALPHA-METHYL-2,4,6-TRIOXO-5-PYRIMIDINEACETIC ACID
1Identification
【Name】
HEXAHYDRO-1,3-DICYCLOHEXYL-ALPHA-METHYL-2,4,6-TRIOXO-5-PYRIMIDINEACETIC ACID
【CAS】
【MDL】
MFCD01689922
【English Synonyms】
【Formula】
C19 H28 N2 O5
【MolWeight】
364.439
【Inchi】
InChI=1S/C19H28N2O5/c1-12(18(24)25)15-16(22)20(13-8-4-2-5-9-13)19(26)21(17(15)23)14-10-6-3-7-11-14/h12-15H,2-11H2,1H3,(H,24,25)
【InChIKey】
InChIKey=IOQANIVKSWUCRX-UHFFFAOYSA-N
【SMILES】
CC(C1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3)C(=O)O
【MOL File】
HEXAHYDRO-1,3-DICYCL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
HEXAHYDRO-1,3-DICYCLOHEXYL-ALPHA-METHYL-2,4,6-TRIOXO-5-PYRIMIDINEACETIC ACID.cml