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2,3-dimethoxy-5-(3-phenylpropylsulfanyl)cyclohexa-2,5-diene-1,4-dione

2,3-dimethoxy-5-(3-phenylpropylsulfanyl)cyclohexa-2,5-diene-1,4-dione structure

CAS No:
64704-09-2
Formula:
C17H18O4S
Chemical Name:
2,3-dimethoxy-5-(3-phenylpropylsulfanyl)cyclohexa-2,5-diene-1,4-dione
Synonyms:
64704-09-2;NSC258835;DTXSID30312587;NSC 258835;NSC-258835;5-.omega.-Phenylpropylmercapto-2,4-benzoquinone;2,4-dione, 2,3-dimethoxy-5-[(3-phenylpropyl)thio]-;2,3-Dimethoxy-5-[(3-phenylpropyl)sulfanyl]cyclohexa-2,5-diene-1,4-dione

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2,3-dimethoxy-5-(3-phenylpropylsulfanyl)cyclohexa-2,5-diene-1,4-dione Basic Attributes

Molecular Weight：

318.4 g/mol

Exact Mass：

318.09258022 g/mol

NSC Number：

258835

DSSTox ID：

DTXSID30312587

Characteristics

PSA：

77.9 Å²

Computed Properties

Molecular Weight:318.4
XLogP3:3.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:318.09258022
Monoisotopic Mass:318.09258022
Topological Polar Surface Area:77.9
Heavy Atom Count:22
Complexity:487
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3-dimethoxy-5-(3-phenylpropylsulfanyl)cyclohexa-2,5-diene-1,4-dione

Basic Attributes
Characteristics
Computed Properties

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