rel-(1R,4R)-1,2,3,4-Tetrahydro-1-phenyl-1,4-naphthalenedicarboxylic acid
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rel-(1R,4R)-1,2,3,4-Tetrahydro-1-phenyl-1,4-naphthalenedicarboxylic acid
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CAS No:
596-56-5
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Formula:
C18H16O4
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Chemical Name:
rel-(1R,4R)-1,2,3,4-Tetrahydro-1-phenyl-1,4-naphthalenedicarboxylic acid
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Synonyms:
1,4-Naphthalenedicarboxylic acid,1,2,3,4-tetrahydro-1-phenyl-,(1R,4R)-rel-;1,4-Naphthalenedicarboxylic acid,1,2,3,4-tetrahydro-1-phenyl-,cis-;rel-(1R,4R)-1,2,3,4-Tetrahydro-1-phenyl-1,4-naphthalenedicarboxylic acid;β-Isatropic acid;Isatropic acid;116724-30-2
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CAS No:
rel-(1R,4R)-1,2,3,4-Tetrahydro-1-phenyl-1,4-naphthalenedicarboxylic acid Basic Attributes
296.31700
296.32
AJA847FQ2T
DTXSID30701351
Computed Properties
Molecular Weight:296.3
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:296.10485899
Monoisotopic Mass:296.10485899
Topological Polar Surface Area:74.6
Heavy Atom Count:22
Complexity:440
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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rel-(1R,4R)-1,2,3,4-Tetrahydro-1-phenyl-1,4-naphthalenedicarboxylic acid
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