877264-73-8
1H-INDAZOLE-1-CARBOXYLIC ACID, 5-ACETYL-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDAZOLE-1-CARBOXYLIC ACID, 5-ACETYL-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDAZOLE-1-CARBOXYLIC ACID, 5-ACETYL-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13182995
【English Synonyms】
【Formula】
C14 H16 N2 O3
【MolWeight】
260.291
【Inchi】
InChI=1S/C14H16N2O3/c1-9(17)10-5-6-12-11(7-10)8-15-16(12)13(18)19-14(2,3)4/h5-8H,1-4H3
【InChIKey】
InChIKey=WGOQOVURHJQHAF-UHFFFAOYSA-N
【SMILES】
CC(=O)c1ccc2c(c1)cnn2C(=O)OC(C)(C)C
【MOL File】
1H-INDAZOLE-1-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDAZOLE-1-CARBOXYLIC ACID, 5-ACETYL-, 1,1-DIMETHYLETHYL ESTER.cml