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Home > Encyclopedia > (αS,1R,3aS,4R,5S,7aS)-Octahydro-α,3a,5-trimethyl-6,8-dioxo-1,4-methano-1H-indene-1-acetic acid

(αS,1R,3aS,4R,5S,7aS)-Octahydro-α,3a,5-trimethyl-6,8-dioxo-1,4-methano-1H-indene-1-acetic acid

(αS,1R,3aS,4R,5S,7aS)-Octahydro-α,3a,5-trimethyl-6,8-dioxo-1,4-methano-1H-indene-1-acetic acid structure

(αS,1R,3aS,4R,5S,7aS)-Octahydro-α,3a,5-trimethyl-6,8-dioxo-1,4-methano-1H-indene-1-acetic acid 

structure
  • CAS No:

    510-35-0

  • Formula:

    C15H20O4

  • Chemical Name:

    (αS,1R,3aS,4R,5S,7aS)-Octahydro-α,3a,5-trimethyl-6,8-dioxo-1,4-methano-1H-indene-1-acetic acid

  • Synonyms:

    1,4-Methano-1H-indene-1-acetic acid,octahydro-α,3a,5-trimethyl-6,8-dioxo-,(αS,1R,3aS,4R,5S,7aS)-;Santonic acid;1,4-Methanoindan-1-acetic acid,hexahydro-α,3a,5-trimethyl-6,8-dioxo-;1,4-Methano-1H-indene-1-acetic acid,octahydro-α,3a,5-trimethyl-6,8-dioxo-,[1R-[1α,1(S*),3aβ,4α,5α,7aβ]]-;(αS,1R,3aS,4R,5S,7aS)-Octahydro-α,3a,5-trimethyl-6,8-dioxo-1,4-methano-1H-indene-1-acetic acid;NSC 138622;(-)-Santonic acid;879278-62-3

(αS,1R,3aS,4R,5S,7aS)-Octahydro-α,3a,5-trimethyl-6,8-dioxo-1,4-methano-1H-indene-1-acetic acid Basic Attributes

264.31700

264.32

138624|138622

DTXSID3046871

Characteristics

71.44000

1.91760

1.266g/cm3

170-172 °C

285 °C

230.6ºC

Drug Information

santonic acid

Computed Properties

Molecular Weight:264.32
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:264.13615911
Monoisotopic Mass:264.13615911
Topological Polar Surface Area:71.4
Heavy Atom Count:19
Complexity:496
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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