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29771-82-2 | Methyl 2-benzylsulfonylacetate
CAS No: 29771-82-2 Catalog No: AG01FF3O MDL No:MFCD12171478
Product Description
Catalog Number:
AG01FF3O
Chemical Name:
Methyl 2-benzylsulfonylacetate
CAS Number:
29771-82-2
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD12171478
IUPAC Name:
methyl 2-benzylsulfonylacetate
InChI:
InChI=1S/C10H12O4S/c1-14-10(11)8-15(12,13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key:
MJSXIDAPNNBSKC-UHFFFAOYSA-N
SMILES:
COC(=O)CS(=O)(=O)Cc1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.262g/mol
Monoisotopic Mass:
228.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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