Home Sulfos 4-Pentenoic acid, 2-methyl-2-(methylsulfonyl)-, phenylmethyl ester, (2R)-

4-Pentenoic acid, 2-methyl-2-(methylsulfonyl)-, phenylmethyl ester, (2R)-

CAS No.:
1821022-18-7
Catalog Number:
AG0023DI
Molecular Formula:
C14H18O4S
Molecular Weight:
282.3553
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Product Description
Catalog Number:
AG0023DI
Chemical Name:
4-Pentenoic acid, 2-methyl-2-(methylsulfonyl)-, phenylmethyl ester, (2R)-
CAS Number:
1821022-18-7
Molecular Formula:
C14H18O4S
Molecular Weight:
282.3553
MDL Number:
MFCD30490705
IUPAC Name:
benzyl (2R)-2-methyl-2-methylsulfonylpent-4-enoate
InChI:
InChI=1S/C14H18O4S/c1-4-10-14(2,19(3,16)17)13(15)18-11-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3/t14-/m1/s1
InChI Key:
IWUXUMPMYUOEIY-CQSZACIVSA-N
SMILES:
C=CC[C@@](S(=O)(=O)C)(C(=O)OCc1ccccc1)C
Properties
Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
282.093g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.354g/mol
Monoisotopic Mass:
282.093g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties