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Benzoic acid, 3,3′-[2,4-hexadiyne-1,6-diylbis(oxy)]bis[6-hydroxy-, dimethyl ester

Benzoic acid, 3,3′-[2,4-hexadiyne-1,6-diylbis(oxy)]bis[6-hydroxy-, dimethyl ester structure

CAS No:
73922-95-9
Formula:
C22H18O8
Chemical Name:
Benzoic acid, 3,3′-[2,4-hexadiyne-1,6-diylbis(oxy)]bis[6-hydroxy-, dimethyl ester
Synonyms:
Benzoic acid,3,3′-[2,4-hexadiyne-1,6-diylbis(oxy)]bis[6-hydroxy-,dimethyl ester;NSC 374312;NCI 374312

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Benzoic acid, 3,3′-[2,4-hexadiyne-1,6-diylbis(oxy)]bis[6-hydroxy-, dimethyl ester Basic Attributes

Molecular Weight：

410.4 g/mol

Exact Mass：

410.37

NSC Number：

374312

DSSTox ID：

DTXSID90321392

Characteristics

PSA：

112 Å²

Melting Point：

164-169 °C @ Solvent: Ethyl acetate, Benzene

Computed Properties

Molecular Weight:410.4
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:410.10016753
Monoisotopic Mass:410.10016753
Topological Polar Surface Area:112
Heavy Atom Count:30
Complexity:658
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoic acid, 3,3′-[2,4-hexadiyne-1,6-diylbis(oxy)]bis[6-hydroxy-, dimethyl ester

Basic Attributes
Characteristics
Computed Properties
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