956943-44-5
(2R)-4-METHYL-1-(4-METHYL-2,6-DINITROPHENYL)TETRAHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID
Name
(2R)-4-METHYL-1-(4-METHYL-2,6-DINITROPHENYL)TETRAHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID
Formula
C13 H15 N3 O6
MolWeight
309.276
1Identification
【Name】
(2R)-4-METHYL-1-(4-METHYL-2,6-DINITROPHENYL)TETRAHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD05669763
【English Synonyms】
【Formula】
C13 H15 N3 O6
【MolWeight】
309.276
【Inchi】
InChI=1S/C13H15N3O6/c1-7-3-9(15(19)20)12(10(4-7)16(21)22)14-6-8(2)5-11(14)13(17)18/h3-4,8,11H,5-6H2,1-2H3,(H,17,18)/t8?,11-/m1/s1
【InChIKey】
InChIKey=OJHDNWLCCLEXRR-QHDYGNBISA-N
【SMILES】
Cc1cc(c(c(c1)[N+](=O)[O-])N2CC(C[C@@H]2C(=O)O)C)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F