Home Other Building Blocks ethyl 2-(9H-purin-8-yl)acetate

ethyl 2-(9H-purin-8-yl)acetate

CAS No.:
1601084-36-9
Catalog Number:
AG01DVR5
Molecular Formula:
C9H10N4O2
Molecular Weight:
206.2013
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Product Description
Catalog Number:
AG01DVR5
Chemical Name:
ethyl 2-(9H-purin-8-yl)acetate
CAS Number:
1601084-36-9
Molecular Formula:
C9H10N4O2
Molecular Weight:
206.2013
MDL Number:
MFCD31666513
IUPAC Name:
ethyl 2-(7H-purin-8-yl)acetate
InChI:
InChI=1S/C9H10N4O2/c1-2-15-8(14)3-7-12-6-4-10-5-11-9(6)13-7/h4-5H,2-3H2,1H3,(H,10,11,12,13)
InChI Key:
OFVDYXHKZVQEIU-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1nc2c([nH]1)ncnc2
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.08g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.205g/mol
Monoisotopic Mass:
206.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties