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1386457-04-0 | 1H-Pyrrolo[2,3-c]pyridine-1-acetic acid, 3-acetyl-, 1,1-dimethylethyl ester
CAS No: 1386457-04-0 Catalog No: AG0018XC MDL No:
Product Description
Catalog Number:
AG0018XC
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-1-acetic acid, 3-acetyl-, 1,1-dimethylethyl ester
CAS Number:
1386457-04-0
Molecular Formula:
C15H18N2O3
Molecular Weight:
274.3150
IUPAC Name:
tert-butyl 2-(3-acetylpyrrolo[2,3-c]pyridin-1-yl)acetate
InChI:
InChI=1S/C15H18N2O3/c1-10(18)12-8-17(9-14(19)20-15(2,3)4)13-7-16-6-5-11(12)13/h5-8H,9H2,1-4H3
InChI Key:
YQMKZJZSUQNWMA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Cn1cc(c2c1cncc2)C(=O)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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.32g/mol
Monoisotopic Mass:
274.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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