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7-chloro-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione

7-chloro-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione structure

CAS No:
28136-94-9
Formula:
C15H17ClO3
Chemical Name:
7-chloro-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Synonyms:
.alpha.-Chlorosantonin;MLS002919810;28136-94-9;NSC293829;CHEMBL2354883;DTXSID80298680;NSC125344;NSC-125344;NSC-293829;SMR001797410;Eudesma-1, 2-chloro-6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11S)-;Naphtho[1,8(3H)-dione, 7-chloro-3a,4,5,9b-tetrahydro-3,5a,9-trimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,9b.beta.)]-

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7-chloro-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione Basic Attributes

Molecular Weight：

280.74 g/mol

Exact Mass：

280.0866221 g/mol

NSC Number：

125344|293829

DSSTox ID：

DTXSID80298680

Characteristics

PSA：

43.4 Å²

Computed Properties

Molecular Weight:280.74
XLogP3:3.1
Hydrogen Bond Acceptor Count:3
Exact Mass:280.0866221
Monoisotopic Mass:280.0866221
Topological Polar Surface Area:43.4
Heavy Atom Count:19
Complexity:546
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-chloro-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione

Basic Attributes
Characteristics
Computed Properties

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