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Home > Imidazoles > 79413-06-2
79413-06-2 | 2H-Benzimidazol-2-one, 5-acetyl-1,3-dihydro-1,3-bis(oxiranylmethyl)-
CAS No: 79413-06-2 Catalog No: AG008M6S MDL No:
Product Description
Catalog Number:
AG008M6S
Chemical Name:
2H-Benzimidazol-2-one, 5-acetyl-1,3-dihydro-1,3-bis(oxiranylmethyl)-
CAS Number:
79413-06-2
Molecular Formula:
C15H16N2O4
Molecular Weight:
288.2985
IUPAC Name:
5-acetyl-1,3-bis(oxiran-2-ylmethyl)benzimidazol-2-one
InChI:
InChI=1S/C15H16N2O4/c1-9(18)10-2-3-13-14(4-10)17(6-12-8-21-12)15(19)16(13)5-11-7-20-11/h2-4,11-12H,5-8H2,1H3
InChI Key:
ICXWEIRBJCJXSU-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)n(CC1CO1)c(=O)n2CC1CO1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.303g/mol
Monoisotopic Mass:
288.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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