2,2-DIMETHYL-PROPIONIC ACID (1R,5R)-4-HYDROXY-6,6-DIMETHYL-BICYCLO[3.1.1]HEPT-2-EN-2-YLMETHYL ESTER
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2,2-DIMETHYL-PROPIONIC ACID (1R,5R)-4-HYDROXY-6,6-DIMETHYL-BICYCLO[3.1.1]HEPT-2-EN-2-YLMETHYL ESTER
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CAS No:
76163-97-8
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Formula:
C15H24O3
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Chemical Name:
2,2-DIMETHYL-PROPIONIC ACID (1R,5R)-4-HYDROXY-6,6-DIMETHYL-BICYCLO[3.1.1]HEPT-2-EN-2-YLMETHYL ESTER
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Synonyms:
SCHEMBL17388254;CTK5E2541;DTXSID50670055;[(1R,5R)-4-Hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl 2,2-dimethylpropanoate;2,2-DIMETHYL-PROPIONIC ACID (1R,5R)-4-HYDROXY-6,6-DIMETHYL-BICYCLO[3.1.1]HEPT-2-EN-2-YLMETHYL ESTER;Propanoic acid,2,2-dimethyl-, (4-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl ester
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CAS No:
2,2-DIMETHYL-PROPIONIC ACID (1R,5R)-4-HYDROXY-6,6-DIMETHYL-BICYCLO[3.1.1]HEPT-2-EN-2-YLMETHYL ESTER Basic Attributes
252.34926
252.173
DTXSID50670055
Computed Properties
Molecular Weight:252.35
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:252.17254462
Monoisotopic Mass:252.17254462
Topological Polar Surface Area:46.5
Heavy Atom Count:18
Complexity:387
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,2-DIMETHYL-PROPIONIC ACID (1R,5R)-4-HYDROXY-6,6-DIMETHYL-BICYCLO[3.1.1]HEPT-2-EN-2-YLMETHYL ESTER
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