200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1198106-25-0
1198106-25-0 | 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-(3-hydroxy-1-propyn-1-yl)-5-methyl-, 1,1-dimethylethyl ester
CAS No: 1198106-25-0 Catalog No: AG000PP3 MDL No:MFCD13563095
Product Description
Catalog Number:
AG000PP3
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-(3-hydroxy-1-propyn-1-yl)-5-methyl-, 1,1-dimethylethyl ester
CAS Number:
1198106-25-0
Molecular Formula:
C16H18N2O3
Molecular Weight:
286.3257
MDL Number:
MFCD13563095
IUPAC Name:
tert-butyl 3-(3-hydroxyprop-1-ynyl)-5-methylpyrrolo[2,3-b]pyridine-1-carboxylate
InChI:
InChI=1S/C16H18N2O3/c1-11-8-13-12(6-5-7-19)10-18(14(13)17-9-11)15(20)21-16(2,3)4/h8-10,19H,7H2,1-4H3
InChI Key:
DZEDBPVJQMROGU-UHFFFAOYSA-N
SMILES:
OCC#Cc1cn(c2c1cc(C)cn2)C(=O)OC(C)(C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.331g/mol
Monoisotopic Mass:
286.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.