Home Other Building Blocks 2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetic acid

2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetic acid

CAS No.:
1785450-15-8
Catalog Number:
AG01B6CO
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
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Product Description
Catalog Number:
AG01B6CO
Chemical Name:
2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetic acid
CAS Number:
1785450-15-8
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD30342638
IUPAC Name:
2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetic acid
InChI:
InChI=1S/C12H14N2O3/c15-11(16)8-14-7-6-10(13-12(14)17)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,17)(H,15,16)
InChI Key:
ZRTDMRNGVBHDRV-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCC(NC1=O)c1ccccc1
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties