856121-21-6
2-PYRROLECARBAMIC ACID, 4-FORMYL-3,5-DIMETHYL-
Name2-PYRROLECARBAMIC ACID, 4-FORMYL-3,5-DIMETHYL-
1Identification
【Name】
2-PYRROLECARBAMIC ACID, 4-FORMYL-3,5-DIMETHYL-
【CAS】
【MDL】
MFCD17018055
【English Synonyms】
【Formula】
C8 H10 N2 O3
【MolWeight】
182.178
【Inchi】
InChI=1S/C8H10N2O3/c1-4-6(3-11)5(2)9-7(4)10-8(12)13/h3,9-10H,1-2H3,(H,12,13)
【InChIKey】
InChIKey=NHOAECRNFQYUQE-UHFFFAOYSA-N
【SMILES】
Cc1c(c([nH]c1NC(=O)O)C)C=O
【MOL File】
2-PYRROLECARBAMIC AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-PYRROLECARBAMIC ACID, 4-FORMYL-3,5-DIMETHYL-.cml