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769900-06-3 | Benzamide,2,3,4-trihydroxy-N-2-pyrimidinyl-
CAS No: 769900-06-3 Catalog No: AG00578F MDL No:
Product Description
Catalog Number:
AG00578F
Chemical Name:
Benzamide,2,3,4-trihydroxy-N-2-pyrimidinyl-
CAS Number:
769900-06-3
Molecular Formula:
C11H9N3O4
Molecular Weight:
247.2069
IUPAC Name:
2,3,4-trihydroxy-N-pyrimidin-2-ylbenzamide
InChI:
InChI=1S/C11H9N3O4/c15-7-3-2-6(8(16)9(7)17)10(18)14-11-12-4-1-5-13-11/h1-5,15-17H,(H,12,13,14,18)
InChI Key:
WOHLDRURXBIERL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1O)O)O)Nc1ncccn1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
247.21g/mol
Monoisotopic Mass:
247.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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