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Homecas2135543-94-9

2135543-94-9

2135543-94-9 structural image
Product Name: hydrate
Formula: H2O
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COMPUTED DESCRIPTORS

Molecular Weight 3061.6 g/mol
Hydrogen Bond Donor Count 25
Hydrogen Bond Acceptor Count 62
Rotatable Bond Count 39
Exact Mass 3058.508091 g/mol
Monoisotopic Mass 3057.504737 g/mol
Topological Polar Surface Area 1270 Ų
Heavy Atom Count 200
Formal Charge 0
Complexity 1700
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 12
Compound Is Canonicalized Yes