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131073-54-6 | 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-
CAS No: 131073-54-6 Catalog No: AG000VI3 MDL No:
Product Description
Catalog Number:
AG000VI3
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-
CAS Number:
131073-54-6
Molecular Formula:
C13H10N4O3
Molecular Weight:
270.2435
IUPAC Name:
1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C13H10N4O3/c1-16-11(9(6-15-16)13(19)20)17-7-14-10-5-3-2-4-8(10)12(17)18/h2-7H,1H3,(H,19,20)
InChI Key:
KORYAOHVFSREKV-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1n1cnc2c(c1=O)cccc2)C(=O)O
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.248g/mol
Monoisotopic Mass:
270.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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