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1198103-89-7 | 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-methyl-3-[2-(trimethylsilyl)ethynyl]-, 1,1-dimethylethyl ester
CAS No: 1198103-89-7 Catalog No: AG000PP4 MDL No:MFCD13563094
Product Description
Catalog Number:
AG000PP4
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-methyl-3-[2-(trimethylsilyl)ethynyl]-, 1,1-dimethylethyl ester
CAS Number:
1198103-89-7
Molecular Formula:
C18H24N2O2Si
Molecular Weight:
328.4809
MDL Number:
MFCD13563094
IUPAC Name:
tert-butyl 5-methyl-3-(2-trimethylsilylethynyl)pyrrolo[2,3-b]pyridine-1-carboxylate
InChI:
InChI=1S/C18H24N2O2Si/c1-13-10-15-14(8-9-23(5,6)7)12-20(16(15)19-11-13)17(21)22-18(2,3)4/h10-12H,1-7H3
InChI Key:
RNCYDCNHKOCUTD-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(c1)c(C#C[Si](C)(C)C)cn2C(=O)OC(C)(C)C
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.161g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.487g/mol
Monoisotopic Mass:
328.161g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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