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Home > Imidazoles > 1221342-99-9
1221342-99-9 | [2-methanesulfonyl-1-(prop-2-en-1-yl)-1H-imidazol-5-yl]methanol
CAS No: 1221342-99-9 Catalog No: AG00JTWC MDL No:MFCD14707597
Product Description
Catalog Number:
AG00JTWC
Chemical Name:
[2-methanesulfonyl-1-(prop-2-en-1-yl)-1H-imidazol-5-yl]methanol
CAS Number:
1221342-99-9
Molecular Formula:
C8H12N2O3S
Molecular Weight:
216.2575
MDL Number:
MFCD14707597
IUPAC Name:
(2-methylsulfonyl-3-prop-2-enylimidazol-4-yl)methanol
InChI:
InChI=1S/C8H12N2O3S/c1-3-4-10-7(6-11)5-9-8(10)14(2,12)13/h3,5,11H,1,4,6H2,2H3
InChI Key:
VFWBXXHYSWKVMB-UHFFFAOYSA-N
SMILES:
C=CCn1c(CO)cnc1S(=O)(=O)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.255g/mol
Monoisotopic Mass:
216.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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