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84687-15-0 | 1H-Imidazole, 2-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-4,5-dihydro-
CAS No: 84687-15-0 Catalog No: AG004ZSF MDL No:
Product Description
Catalog Number:
AG004ZSF
Chemical Name:
1H-Imidazole, 2-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-4,5-dihydro-
CAS Number:
84687-15-0
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)/t10-/m1/s1
InChI Key:
HPMRFMKYPGXPEP-SNVBAGLBSA-N
SMILES:
C1CN=C(N1)[C@H]1COc2c(O1)cccc2
UNII:
TVQ8F94ARF
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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