METHYL(R)-3-PHENYLBUTYRATE
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METHYL(R)-3-PHENYLBUTYRATE
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CAS No:
1472-07-7
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Formula:
C11H14O2
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Chemical Name:
METHYL(R)-3-PHENYLBUTYRATE
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Synonyms:
METHYL(R)-3-PHENYLBUTYRATE;(R)-methyl3-phenylbutanoate;methyl(r)-β-methylhydrocinnamate;METHYL(R)-BETA-METHYLHYDROCINNAMATE
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CAS No:
Characteristics
26.30000
2.35320
1.020 g/mL at 20ºC(lit.)
234.2ºC at 760 mmHg
95ºC
n20/D 1.497
0.0537mmHg at 25°C
Computed Properties
Molecular Weight:178.23
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:160
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes