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1024-41-5 | Benzenesulfonic acid, 4-methyl-, phenylmethyl ester
CAS No: 1024-41-5 Catalog No: AG0007CP MDL No:MFCD01318299
Product Description
Catalog Number:
AG0007CP
Chemical Name:
Benzenesulfonic acid, 4-methyl-, phenylmethyl ester
CAS Number:
1024-41-5
Molecular Formula:
C14H14O3S
Molecular Weight:
262.3242
MDL Number:
MFCD01318299
IUPAC Name:
benzyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C14H14O3S/c1-12-7-9-14(10-8-12)18(15,16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI Key:
OVHDZBAFUMEXCX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.323g/mol
Monoisotopic Mass:
262.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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