Home Other Building Blocks 3-(2-oxo-1,3-diazinan-1-yl)benzoic acid

3-(2-oxo-1,3-diazinan-1-yl)benzoic acid

CAS No.:
1140242-88-1
Catalog Number:
AG019TEO
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
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Product Description
Catalog Number:
AG019TEO
Chemical Name:
3-(2-oxo-1,3-diazinan-1-yl)benzoic acid
CAS Number:
1140242-88-1
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD11870025
IUPAC Name:
3-(2-oxo-1,3-diazinan-1-yl)benzoic acid
InChI:
InChI=1S/C11H12N2O3/c14-10(15)8-3-1-4-9(7-8)13-6-2-5-12-11(13)16/h1,3-4,7H,2,5-6H2,(H,12,16)(H,14,15)
InChI Key:
TWIMAQLGJSZRPW-UHFFFAOYSA-N
SMILES:
O=C1NCCCN1c1cccc(c1)C(=O)O
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties