Home Carboxys 7-hydroxypteridine-6-carboxylic acid

7-hydroxypteridine-6-carboxylic acid

CAS No.:
68165-29-7
Catalog Number:
AG01B2GT
Molecular Formula:
C7H4N4O3
Molecular Weight:
192.1317
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Product Description
Catalog Number:
AG01B2GT
Chemical Name:
7-hydroxypteridine-6-carboxylic acid
CAS Number:
68165-29-7
Molecular Formula:
C7H4N4O3
Molecular Weight:
192.1317
MDL Number:
MFCD20647466
IUPAC Name:
7-oxo-8H-pteridine-6-carboxylic acid
InChI:
InChI=1S/C7H4N4O3/c12-6-4(7(13)14)10-3-1-8-2-9-5(3)11-6/h1-2H,(H,13,14)(H,8,9,11,12)
InChI Key:
ININMFLHQXATDK-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2cncnc2nc1O
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.028g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
192.134g/mol
Monoisotopic Mass:
192.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties