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117603-69-7 | 2,4-Imidazolidinedione, 5-(1H-indol-3-ylmethylene)-1,3-dimethyl-, (5E)-
CAS No: 117603-69-7 Catalog No: AG0077LH MDL No:
Product Description
Catalog Number:
AG0077LH
Chemical Name:
2,4-Imidazolidinedione, 5-(1H-indol-3-ylmethylene)-1,3-dimethyl-, (5E)-
CAS Number:
117603-69-7
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
IUPAC Name:
4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-dimethylimidazol-2-one
InChI:
InChI=1S/C14H13N3O2/c1-16-12(13(18)17(2)14(16)19)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,18H,1-2H3
InChI Key:
DHUPBMIFSWBVAR-UHFFFAOYSA-N
SMILES:
O=C1N(C)C(=O)/C(=C\c2c[nH]c3c2cccc3)/N1C
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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