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1167056-64-5 | 1H-Indole-6-carboxylic acid, 4-hydroxy-, ethyl ester
CAS No: 1167056-64-5 Catalog No: AG000D3U MDL No:
Product Description
Catalog Number:
AG000D3U
Chemical Name:
1H-Indole-6-carboxylic acid, 4-hydroxy-, ethyl ester
CAS Number:
1167056-64-5
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
ethyl 4-hydroxy-1H-indole-6-carboxylate
InChI:
InChI=1S/C11H11NO3/c1-2-15-11(14)7-5-9-8(3-4-12-9)10(13)6-7/h3-6,12-13H,2H2,1H3
InChI Key:
WKJZWTBZQAKTBO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(O)c2c(c1)[nH]cc2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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