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10154-72-0 | Propanoic acid, 3-(phenylsulfonyl)-, methyl ester
CAS No: 10154-72-0 Catalog No: AG0004R8 MDL No:
Product Description
Catalog Number:
AG0004R8
Chemical Name:
Propanoic acid, 3-(phenylsulfonyl)-, methyl ester
CAS Number:
10154-72-0
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
IUPAC Name:
methyl 3-(benzenesulfonyl)propanoate
InChI:
InChI=1S/C10H12O4S/c1-14-10(11)7-8-15(12,13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key:
WWSDWMABULBZIZ-UHFFFAOYSA-N
SMILES:
COC(=O)CCS(=O)(=O)c1ccccc1
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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