2-((((3aS,4S,5R,7S,7aS)-octahydro-1H-4,7-Methanoinden-5-yl)oxy)carbonyl)benzoic acid
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2-((((3aS,4S,5R,7S,7aS)-octahydro-1H-4,7-Methanoinden-5-yl)oxy)carbonyl)benzoic acid
structure -
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CAS No:
1096688-06-0
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Formula:
C18H20O4
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Chemical Name:
2-((((3aS,4S,5R,7S,7aS)-octahydro-1H-4,7-Methanoinden-5-yl)oxy)carbonyl)benzoic acid
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Synonyms:
2-((((3aS,4S,5R,7S,7aS)-octahydro-1H-4,7-methanoinden-5-yl)oxy)carbonyl)benzoic acid;CS-M1551;ZINC95080109;CS-14350
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CAS No:
2-((((3aS,4S,5R,7S,7aS)-octahydro-1H-4,7-Methanoinden-5-yl)oxy)carbonyl)benzoic acid Basic Attributes
300.349
300.136
Computed Properties
Molecular Weight:300.3
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:300.13615911
Monoisotopic Mass:300.13615911
Topological Polar Surface Area:63.6
Heavy Atom Count:22
Complexity:474
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-((((3aS,4S,5R,7S,7aS)-octahydro-1H-4,7-Methanoinden-5-yl)oxy)carbonyl)benzoic acid
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