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27663-73-6 | diethyl2-((1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)malonate-D28249
CAS No: 27663-73-6 Catalog No: AG019G30 MDL No:MFCD13191655
Product Description
Catalog Number:
AG019G30
Chemical Name:
diethyl2-((1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)malonate-D28249
CAS Number:
27663-73-6
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
MDL Number:
MFCD13191655
IUPAC Name:
diethyl 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)propanedioate
InChI:
InChI=1S/C15H18N2O4/c1-3-20-14(18)12(15(19)21-4-2)8-10-9-17-13-11(10)6-5-7-16-13/h5-7,9,12H,3-4,8H2,1-2H3,(H,16,17)
InChI Key:
OYZUYWXXBYTHKY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)Cc1c[nH]c2c1cccn2
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.319g/mol
Monoisotopic Mass:
290.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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