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337921-72-9

337921-72-9 structural image
Product Name: METHYL 2-[(3-OXO-1-PHENYL-2,3-DIHYDRO-1H-INDEN-4-YL)SULFANYL]ACETATE
Formula: C18H16O3S
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COMPUTED DESCRIPTORS

Molecular Weight 312.4 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 312.08201554 g/mol
Monoisotopic Mass 312.08201554 g/mol
Topological Polar Surface Area 68.7 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 417
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes