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113661-88-4

113661-88-4 | Benzenesulfonic acid, (acetyloxy)- (9CI)

CAS No: 113661-88-4 Catalog No: AG00098O MDL No:

Product Description

Catalog Number:
AG00098O
Chemical Name:
Benzenesulfonic acid, (acetyloxy)- (9CI)
CAS Number:
113661-88-4
Molecular Formula:
C8H8O5S
Molecular Weight:
216.2111
IUPAC Name:
2-acetyloxybenzenesulfonic acid
InChI:
InChI=1S/C8H8O5S/c1-6(9)13-7-4-2-3-5-8(7)14(10,11)12/h2-5H,1H3,(H,10,11,12)
InChI Key:
VBDFPNJHQVMOPA-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccccc1S(=O)(=O)O

Properties

Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.009g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.207g/mol
Monoisotopic Mass:
216.009g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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