81258-05-1
PYRANO(2,3-G)INDOLE-2-CARBOXYLIC ACID, 1,7,8,9-TETRAHYDRO-5-METHOXY-9-OXO-
NamePYRANO(2,3-G)INDOLE-2-CARBOXYLIC ACID, 1,7,8,9-TETRAHYDRO-5-METHOXY-9-OXO-
1Identification
【Name】
PYRANO(2,3-G)INDOLE-2-CARBOXYLIC ACID, 1,7,8,9-TETRAHYDRO-5-METHOXY-9-OXO-
【CAS】
【MDL】
MFCD01757957
【English Synonyms】
【Formula】
C13 H11 N O5
【MolWeight】
261.232
【Inchi】
InChI=1S/C13H11NO5/c1-18-9-5-6-4-7(13(16)17)14-11(6)10-8(15)2-3-19-12(9)10/h4-5,14H,2-3H2,1H3,(H,16,17)
【InChIKey】
InChIKey=NDHDDHVSYQFPDN-UHFFFAOYSA-N
【SMILES】
COc1cc2cc([nH]c2c3c1OCCC3=O)C(=O)O
【MOL File】
PYRANO(2,3-G)INDOLE-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
PYRANO(2,3-G)INDOLE-2-CARBOXYLIC ACID, 1,7,8,9-TETRAHYDRO-5-METHOXY-9-OXO-.cml