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84638-89-1 | 1H-Indole-2-carboxylic acid, 7-hydroxy-, butyl ester
CAS No: 84638-89-1 Catalog No: AG0050HJ MDL No:
Product Description
Catalog Number:
AG0050HJ
Chemical Name:
1H-Indole-2-carboxylic acid, 7-hydroxy-, butyl ester
CAS Number:
84638-89-1
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
butyl 7-hydroxy-1H-indole-2-carboxylate
InChI:
InChI=1S/C13H15NO3/c1-2-3-7-17-13(16)10-8-9-5-4-6-11(15)12(9)14-10/h4-6,8,14-15H,2-3,7H2,1H3
InChI Key:
QHFOBIBNEVLXKO-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1cc2c([nH]1)c(O)ccc2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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