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148673-97-6 | Benzoic acid, 2-(tetrahydro-2,4-dioxo-1(2H)-pyrimidinyl)-
CAS No: 148673-97-6 Catalog No: AG001L43 MDL No:MFCD08060083
Product Description
Catalog Number:
AG001L43
Chemical Name:
Benzoic acid, 2-(tetrahydro-2,4-dioxo-1(2H)-pyrimidinyl)-
CAS Number:
148673-97-6
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
MDL Number:
MFCD08060083
IUPAC Name:
2-(2,4-dioxo-1,3-diazinan-1-yl)benzoic acid
InChI:
InChI=1S/C11H10N2O4/c14-9-5-6-13(11(17)12-9)8-4-2-1-3-7(8)10(15)16/h1-4H,5-6H2,(H,15,16)(H,12,14,17)
InChI Key:
OBGZFHAFUJNQOY-UHFFFAOYSA-N
SMILES:
O=C1CCN(C(=O)N1)c1ccccc1C(=O)O
Properties
Complexity:
355
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:
0.1
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