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820964-14-5 | 1H-Pyrrolo[1,2-c]imidazole-1,3(2H)-dione, 2-(1-phenylethyl)-
CAS No: 820964-14-5 Catalog No: AG005C3O MDL No:
Product Description
Catalog Number:
AG005C3O
Chemical Name:
1H-Pyrrolo[1,2-c]imidazole-1,3(2H)-dione, 2-(1-phenylethyl)-
CAS Number:
820964-14-5
Molecular Formula:
C14H12N2O2
Molecular Weight:
240.2573
IUPAC Name:
2-(1-phenylethyl)pyrrolo[1,2-c]imidazole-1,3-dione
InChI:
InChI=1S/C14H12N2O2/c1-10(11-6-3-2-4-7-11)16-13(17)12-8-5-9-15(12)14(16)18/h2-10H,1H3
InChI Key:
UVBQSZBZXAMBRJ-UHFFFAOYSA-N
SMILES:
CC(n1c(=O)c2n(c1=O)ccc2)c1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.262g/mol
Monoisotopic Mass:
240.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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