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100393-65-5 | 1H-Indole-2-carboxylic acid, 1-acetyl-, ethyl ester
CAS No: 100393-65-5 Catalog No: AG0001V7 MDL No:
Product Description
Catalog Number:
AG0001V7
Chemical Name:
1H-Indole-2-carboxylic acid, 1-acetyl-, ethyl ester
CAS Number:
100393-65-5
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
ethyl 1-acetylindole-2-carboxylate
InChI:
InChI=1S/C13H13NO3/c1-3-17-13(16)12-8-10-6-4-5-7-11(10)14(12)9(2)15/h4-8H,3H2,1-2H3
InChI Key:
KELLLYFEZGIOGA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(n1C(=O)C)cccc2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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