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1260860-81-8 | 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, ethyl ester
CAS No: 1260860-81-8 Catalog No: AG000RGV MDL No:
Product Description
Catalog Number:
AG000RGV
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, ethyl ester
CAS Number:
1260860-81-8
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
IUPAC Name:
ethyl 7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C9H9N3O2/c1-2-14-9(13)7-3-6-4-10-5-11-8(6)12-7/h3-5H,2H2,1H3,(H,10,11,12)
InChI Key:
DHROKWPRLUGWDL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)ncnc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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