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89607-75-0 | 1H-Indole-2-carboxylic acid, 5-methoxy-3-(1-piperidinylazo)-, ethyl ester
CAS No: 89607-75-0 Catalog No: AG003WU6 MDL No:
Product Description
Catalog Number:
AG003WU6
Chemical Name:
1H-Indole-2-carboxylic acid, 5-methoxy-3-(1-piperidinylazo)-, ethyl ester
CAS Number:
89607-75-0
Molecular Formula:
C17H22N4O3
Molecular Weight:
330.3816
IUPAC Name:
ethyl 5-methoxy-3-(piperidin-1-yldiazenyl)-1H-indole-2-carboxylate
InChI:
InChI=1S/C17H22N4O3/c1-3-24-17(22)16-15(19-20-21-9-5-4-6-10-21)13-11-12(23-2)7-8-14(13)18-16/h7-8,11,18H,3-6,9-10H2,1-2H3
InChI Key:
PTNIRRNZXYFBBR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1N=NN1CCCCC1)cc(cc2)OC
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.388g/mol
Monoisotopic Mass:
330.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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