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89610-81-1 | Sulfuric acid, methyl 2-methylphenyl ester
CAS No: 89610-81-1 Catalog No: AG003YPS MDL No:
Product Description
Catalog Number:
AG003YPS
Chemical Name:
Sulfuric acid, methyl 2-methylphenyl ester
CAS Number:
89610-81-1
Molecular Formula:
C8H10O4S
Molecular Weight:
202.2276
IUPAC Name:
methyl (2-methylphenyl) sulfate
InChI:
InChI=1S/C8H10O4S/c1-7-5-3-4-6-8(7)12-13(9,10)11-2/h3-6H,1-2H3
InChI Key:
UBENKWVLVFGSDM-UHFFFAOYSA-N
SMILES:
COS(=O)(=O)Oc1ccccc1C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.224g/mol
Monoisotopic Mass:
202.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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