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122234-86-0 | 4-Quinazolinecarboxylic acid, 6,7-dihydroxy-
CAS No: 122234-86-0 Catalog No: AG0016ZF MDL No:
Product Description
Catalog Number:
AG0016ZF
Chemical Name:
4-Quinazolinecarboxylic acid, 6,7-dihydroxy-
CAS Number:
122234-86-0
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
IUPAC Name:
6,7-dihydroxyquinazoline-4-carboxylic acid
InChI:
InChI=1S/C9H6N2O4/c12-6-1-4-5(2-7(6)13)10-3-11-8(4)9(14)15/h1-3,12-13H,(H,14,15)
InChI Key:
QMCKJMLLIFJEIS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncnc2c1cc(O)c(c2)O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.033g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
206.157g/mol
Monoisotopic Mass:
206.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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