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53848-04-7 | 4-(1,3-Benzodioxol-5-yl)-1H-imidazole
CAS No: 53848-04-7 Catalog No: AG00DCIQ MDL No:MFCD08669178
Product Description
Catalog Number:
AG00DCIQ
Chemical Name:
4-(1,3-Benzodioxol-5-yl)-1H-imidazole
CAS Number:
53848-04-7
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD08669178
IUPAC Name:
5-(1,3-benzodioxol-5-yl)-1H-imidazole
InChI:
InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)3-7(1)8-4-11-5-12-8/h1-5H,6H2,(H,11,12)
InChI Key:
LTACKSBIELGDGS-UHFFFAOYSA-N
SMILES:
c1occ(n1)c1ccc2c(c1)OCO2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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