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84639-87-2 | 1H-Indole-2-carboxylic acid, 4-formyl-7-hydroxy-, ethyl ester
CAS No: 84639-87-2 Catalog No: AG0050G4 MDL No:
Product Description
Catalog Number:
AG0050G4
Chemical Name:
1H-Indole-2-carboxylic acid, 4-formyl-7-hydroxy-, ethyl ester
CAS Number:
84639-87-2
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
ethyl 4-formyl-7-hydroxy-1H-indole-2-carboxylate
InChI:
InChI=1S/C12H11NO4/c1-2-17-12(16)9-5-8-7(6-14)3-4-10(15)11(8)13-9/h3-6,13,15H,2H2,1H3
InChI Key:
JAASBYQRAOKAFV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1)c(C=O)ccc2O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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