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88059-20-5 | 1H-Indole-1-carboxylic acid, 4-acetyl-, 1,1-dimethylethyl ester
CAS No: 88059-20-5 Catalog No: AG004LCF MDL No:
Product Description
Catalog Number:
AG004LCF
Chemical Name:
1H-Indole-1-carboxylic acid, 4-acetyl-, 1,1-dimethylethyl ester
CAS Number:
88059-20-5
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
IUPAC Name:
tert-butyl 4-acetylindole-1-carboxylate
InChI:
InChI=1S/C15H17NO3/c1-10(17)11-6-5-7-13-12(11)8-9-16(13)14(18)19-15(2,3)4/h5-9H,1-4H3
InChI Key:
POKHQUQFEQBDHB-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc2c1ccn2C(=O)OC(C)(C)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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