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1198103-73-9 | 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-(hydroxymethyl)-5-methyl-, 1,1-dimethylethyl ester
CAS No: 1198103-73-9 Catalog No: AG000PP5 MDL No:MFCD13563093
Product Description
Catalog Number:
AG000PP5
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-(hydroxymethyl)-5-methyl-, 1,1-dimethylethyl ester
CAS Number:
1198103-73-9
Molecular Formula:
C14H18N2O3
Molecular Weight:
262.3043
MDL Number:
MFCD13563093
IUPAC Name:
tert-butyl 3-(hydroxymethyl)-5-methylpyrrolo[2,3-b]pyridine-1-carboxylate
InChI:
InChI=1S/C14H18N2O3/c1-9-5-11-10(8-17)7-16(12(11)15-6-9)13(18)19-14(2,3)4/h5-7,17H,8H2,1-4H3
InChI Key:
DJICFPSXUIFDTJ-UHFFFAOYSA-N
SMILES:
OCc1cn(c2c1cc(C)cn2)C(=O)OC(C)(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.309g/mol
Monoisotopic Mass:
262.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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