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1286754-47-9 | 1H-pyrazolo[3,4-b]pyrazine-3-carboxylic acid
CAS No: 1286754-47-9 Catalog No: AG000YB3 MDL No:
Product Description
Catalog Number:
AG000YB3
Chemical Name:
1H-pyrazolo[3,4-b]pyrazine-3-carboxylic acid
CAS Number:
1286754-47-9
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
IUPAC Name:
2H-pyrazolo[3,4-b]pyrazine-3-carboxylic acid
InChI:
InChI=1S/C6H4N4O2/c11-6(12)4-3-5(10-9-4)8-2-1-7-3/h1-2H,(H,11,12)(H,8,9,10)
InChI Key:
MWPWLVCWUBHDTP-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c2c1nccn2
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:
-0.3
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