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Home > Imidazoles > 1557653-00-5
1557653-00-5 | 5-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-methyl-1H-imidazole
CAS No: 1557653-00-5 Catalog No: AG01BBPZ MDL No:MFCD25826615
Product Description
Catalog Number:
AG01BBPZ
Chemical Name:
5-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-methyl-1H-imidazole
CAS Number:
1557653-00-5
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD25826615
IUPAC Name:
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylimidazol-4-yl)methanone
InChI:
InChI=1S/C13H12N2O3/c1-15-8-14-7-10(15)13(16)9-2-3-11-12(6-9)18-5-4-17-11/h2-3,6-8H,4-5H2,1H3
InChI Key:
ZSMSCGDLEOSDCX-UHFFFAOYSA-N
SMILES:
Cn1cncc1C(=O)c1ccc2c(c1)OCCO2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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