875802-39-4
(1,2,3,6-TETRAHYDRO-1-METHYL-2,6-DIOXO-4-PYRIMIDINYL)-CARBAMIC ACID
Name(1,2,3,6-TETRAHYDRO-1-METHYL-2,6-DIOXO-4-PYRIMIDINYL)-CARBAMIC ACID
1Identification
【Name】
(1,2,3,6-TETRAHYDRO-1-METHYL-2,6-DIOXO-4-PYRIMIDINYL)-CARBAMIC ACID
【CAS】
【MDL】
MFCD17018447
【English Synonyms】
【Formula】
C6 H7 N3 O4
【MolWeight】
185.138
【Inchi】
InChI=1S/C6H7N3O4/c1-9-4(10)2-3(7-5(9)11)8-6(12)13/h2,8H,1H3,(H,7,11)(H,12,13)
【InChIKey】
InChIKey=CRDKEOWXUUTANZ-UHFFFAOYSA-N
【SMILES】
Cn1c(=O)cc([nH]c1=O)NC(=O)O
【MOL File】
(1,2,3,6-TETRAHYDRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1,2,3,6-TETRAHYDRO-1-METHYL-2,6-DIOXO-4-PYRIMIDINYL)-CARBAMIC ACID.cml