566946-79-0
1-(1-METHYLETHYL)-4-NITRO-1H-PYRROLE-2-CARBOXYLIC ACID
Name1-(1-METHYLETHYL)-4-NITRO-1H-PYRROLE-2-CARBOXYLIC ACID
1Identification
【Name】
1-(1-METHYLETHYL)-4-NITRO-1H-PYRROLE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD18810219
【English Synonyms】
【Formula】
C8 H10 N2 O4
【MolWeight】
198.177
【Inchi】
InChI=1S/C8H10N2O4/c1-5(2)9-4-6(10(13)14)3-7(9)8(11)12/h3-5H,1-2H3,(H,11,12)
【InChIKey】
InChIKey=HZXVEZVFCPIWFV-UHFFFAOYSA-N
【SMILES】
CC(C)n1cc(cc1C(=O)O)[N+](=O)[O-]
【MOL File】
1-(1-METHYLETHYL)-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(1-METHYLETHYL)-4-NITRO-1H-PYRROLE-2-CARBOXYLIC ACID.cml