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Home > Indoles and Oxindole > 872404-91-6
872404-91-6 | 1-tert-Butoxycarbonyl-1H-indole-3-acetaMide
CAS No: 872404-91-6 Catalog No: AG00GTYR MDL No:
Product Description
Catalog Number:
AG00GTYR
Chemical Name:
1-tert-Butoxycarbonyl-1H-indole-3-acetaMide
CAS Number:
872404-91-6
Molecular Formula:
C15H18N2O3
Molecular Weight:
274.3150
IUPAC Name:
tert-butyl 3-(2-amino-2-oxoethyl)indole-1-carboxylate
InChI:
InChI=1S/C15H18N2O3/c1-15(2,3)20-14(19)17-9-10(8-13(16)18)11-6-4-5-7-12(11)17/h4-7,9H,8H2,1-3H3,(H2,16,18)
InChI Key:
HMYDQLXYMKXROS-UHFFFAOYSA-N
SMILES:
NC(=O)Cc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.32g/mol
Monoisotopic Mass:
274.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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