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Home > Imidazoles > 86218-08-8
86218-08-8 | (Z)-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl]prop-2-enoic acid
CAS No: 86218-08-8 Catalog No: AG004NH0 MDL No:
Product Description
Catalog Number:
AG004NH0
Chemical Name:
(Z)-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl]prop-2-enoic acid
CAS Number:
86218-08-8
Molecular Formula:
C9H13N3O4
Molecular Weight:
227.2172
IUPAC Name:
(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]but-2-enoic acid
InChI:
InChI=1S/C9H13N3O4/c13-7(1-2-8(14)15)10-3-5-12-6-4-11-9(12)16/h1-2H,3-6H2,(H,10,13)(H,11,16)(H,14,15)/b2-1-
InChI Key:
FROXAXDNCMRIDL-UPHRSURJSA-N
SMILES:
O=C(/C=C\C(=O)O)NCCN1CCNC1=O
EC Number:
289-205-6
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
227.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.22g/mol
Monoisotopic Mass:
227.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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