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Home > Imidazoles > 95657-12-8
95657-12-8 | 3-(2,4-DIOXOIMIDAZOLIDIN-1-YL)ALANINE
CAS No: 95657-12-8 Catalog No: AG00H8LV MDL No:
Product Description
Catalog Number:
AG00H8LV
Chemical Name:
3-(2,4-DIOXOIMIDAZOLIDIN-1-YL)ALANINE
CAS Number:
95657-12-8
Molecular Formula:
C6H9N3O4
Molecular Weight:
187.1534
IUPAC Name:
2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid
InChI:
InChI=1S/C6H9N3O4/c7-3(5(11)12)1-9-2-4(10)8-6(9)13/h3H,1-2,7H2,(H,11,12)(H,8,10,13)
InChI Key:
UROMBTYUGMWQMT-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)N(C1)C[C@@H](C(=O)O)N
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.155g/mol
Monoisotopic Mass:
187.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.5
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