Benzenesulfonic acid, 1-methylethyl ester


Chemical Name: Benzenesulfonic acid, 1-methylethyl ester
CAS Number: 6214-18-2
Product Number: AG00E8US(AGN-PC-0NIZ6B)
Synonyms:
MDL No:
Molecular Formula: C9H12O3S
Molecular Weight: 200.2548

Identification/Properties


Computed Properties
Molecular Weight:
200.252g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
200.051g/mol
Monoisotopic Mass:
200.051g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
232
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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