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3453-84-7

3453-84-7 structural image
Product Name: PSEUDOCUMENE-5-SULFONIC ACID
Formula: C9H12O3S
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COMPUTED DESCRIPTORS

Molecular Weight 200.26 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 200.05071541 g/mol
Monoisotopic Mass 200.05071541 g/mol
Topological Polar Surface Area 62.8 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 265
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

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