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1223748-29-5 | 1-Imidazolidineacetic acid, 3-(4-cyanophenyl)-2-oxo-
CAS No: 1223748-29-5 Catalog No: AG00175P MDL No:MFCD14708242
Product Description
Catalog Number:
AG00175P
Chemical Name:
1-Imidazolidineacetic acid, 3-(4-cyanophenyl)-2-oxo-
CAS Number:
1223748-29-5
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
MDL Number:
MFCD14708242
IUPAC Name:
2-[3-(4-cyanophenyl)-2-oxoimidazolidin-1-yl]acetic acid
InChI:
InChI=1S/C12H11N3O3/c13-7-9-1-3-10(4-2-9)15-6-5-14(12(15)18)8-11(16)17/h1-4H,5-6,8H2,(H,16,17)
InChI Key:
RFRNCOQQEILWFI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N1CCN(C1=O)CC(=O)O
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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