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1786-27-2

1786-27-2 | 1,4-Benzenediol, compd. with sulfur dioxide (1:?)

CAS No: 1786-27-2 Catalog No: AG00266F MDL No:

Product Description

Catalog Number:
AG00266F
Chemical Name:
1,4-Benzenediol, compd. with sulfur dioxide (1:?)
CAS Number:
1786-27-2
Molecular Formula:
C6H6O4S
Molecular Weight:
174.1744
IUPAC Name:
benzene-1,4-diol;sulfur dioxide
InChI:
InChI=1S/C6H6O2.O2S/c7-5-1-2-6(8)4-3-5;1-3-2/h1-4,7-8H;
InChI Key:
ZGUVVJOTWDTXFR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)O.O=S=O
EC Number:
217-243-5

Properties

Complexity:
73.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.999g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
174.17g/mol
Monoisotopic Mass:
173.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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