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88694-42-2 | 1H-Indole-2-carboxylic acid, 6-(2-propenyloxy)-, ethyl ester
CAS No: 88694-42-2 Catalog No: AG0046T2 MDL No:
Product Description
Catalog Number:
AG0046T2
Chemical Name:
1H-Indole-2-carboxylic acid, 6-(2-propenyloxy)-, ethyl ester
CAS Number:
88694-42-2
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
ethyl 6-prop-2-enoxy-1H-indole-2-carboxylate
InChI:
InChI=1S/C14H15NO3/c1-3-7-18-11-6-5-10-8-13(14(16)17-4-2)15-12(10)9-11/h3,5-6,8-9,15H,1,4,7H2,2H3
InChI Key:
FRDYUPYQICKGLY-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc2c(c1)[nH]c(c2)C(=O)OCC
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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