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Home > Imidazoles > 1221341-10-1
1221341-10-1 | [2-methanesulfonyl-1-(3-methoxypropyl)-1H-imidazol-5-yl]methanol
CAS No: 1221341-10-1 Catalog No: AG00JTWI MDL No:MFCD14707602
Product Description
Catalog Number:
AG00JTWI
Chemical Name:
[2-methanesulfonyl-1-(3-methoxypropyl)-1H-imidazol-5-yl]methanol
CAS Number:
1221341-10-1
Molecular Formula:
C9H16N2O4S
Molecular Weight:
248.2993
MDL Number:
MFCD14707602
IUPAC Name:
[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methanol
InChI:
InChI=1S/C9H16N2O4S/c1-15-5-3-4-11-8(7-12)6-10-9(11)16(2,13)14/h6,12H,3-5,7H2,1-2H3
InChI Key:
ZAUIJESGQNGBDU-UHFFFAOYSA-N
SMILES:
COCCCn1c(CO)cnc1S(=O)(=O)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.297g/mol
Monoisotopic Mass:
248.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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