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85601-30-5 | methane- sulfuric acid(1:1)
CAS No: 85601-30-5 Catalog No: AG004U56 MDL No:
Product Description
Catalog Number:
AG004U56
Chemical Name:
methane- sulfuric acid(1:1)
CAS Number:
85601-30-5
Molecular Formula:
CH6O4S
Molecular Weight:
114.1209
IUPAC Name:
methane;sulfuric acid
InChI:
InChI=1S/CH4.H2O4S/c;1-5(2,3)4/h1H4;(H2,1,2,3,4)
InChI Key:
LRPCLTPZMUIPFK-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.C
EC Number:
235-819-4
Properties
Complexity:
81.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.999g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
114.115g/mol
Monoisotopic Mass:
113.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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