54409-81-3
2-HYDROXY-3-OXO-3,5,6,7,8,8A-HEXAHYDROINDOLIZINE-1-CARBOXYLIC ACID
Name
2-HYDROXY-3-OXO-3,5,6,7,8,8A-HEXAHYDROINDOLIZINE-1-CARBOXYLIC ACID
Formula
C9 H11 N O4
MolWeight
197.189
1Identification
【Name】
2-HYDROXY-3-OXO-3,5,6,7,8,8A-HEXAHYDROINDOLIZINE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD20647325
【English Synonyms】
【Formula】
C9 H11 N O4
【MolWeight】
197.189
【Inchi】
InChI=1S/C9H11NO4/c11-7-6(9(13)14)5-3-1-2-4-10(5)8(7)12/h5,11H,1-4H2,(H,13,14)
【InChIKey】
InChIKey=NDIFMVQQGQDNGC-UHFFFAOYSA-N
【SMILES】
C1CCN2C(C1)C(=C(C2=O)O)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-HYDROXY-3-OXO-3,5,6,7,8,8A-HEXAHYDROINDOLIZINE-1-CARBOXYLIC ACID.cml
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