Home Carboxys 1H-purine-6-carboxylic acid

1H-purine-6-carboxylic acid

CAS No.:
2365-43-7
Catalog Number:
AG002O1E
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
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Product Description
Catalog Number:
AG002O1E
Chemical Name:
1H-purine-6-carboxylic acid
CAS Number:
2365-43-7
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
MDL Number:
MFCD06208344
IUPAC Name:
7H-purine-6-carboxylic acid
InChI:
InChI=1S/C6H4N4O2/c11-6(12)4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,11,12)(H,7,8,9,10)
InChI Key:
CIEQXUBLKKQRIS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncnc2c1nc[nH]2
EC Number:
219-120-1
NSC Number:
54461
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
164.124g/mol
Monoisotopic Mass:
164.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties