Home Other Building Blocks 4-(3,6-dioxo-1,2-diazinan-1-yl)benzoic acid

4-(3,6-dioxo-1,2-diazinan-1-yl)benzoic acid

CAS No.:
926225-08-3
Catalog Number:
AG019XFR
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
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Product Description
Catalog Number:
AG019XFR
Chemical Name:
4-(3,6-dioxo-1,2-diazinan-1-yl)benzoic acid
CAS Number:
926225-08-3
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
MDL Number:
MFCD09045437
IUPAC Name:
4-(3,6-dioxodiazinan-1-yl)benzoic acid
InChI:
InChI=1S/C11H10N2O4/c14-9-5-6-10(15)13(12-9)8-3-1-7(2-4-8)11(16)17/h1-4H,5-6H2,(H,12,14)(H,16,17)
InChI Key:
USBCCCWZFZKVJI-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N(N1)c1ccc(cc1)C(=O)O
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties