3-Fluoro-4-methoxy-γ-oxobenzenebutanoic acid
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3-Fluoro-4-methoxy-γ-oxobenzenebutanoic acid
structure -
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CAS No:
347-63-7
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Formula:
C11H11FO4
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Chemical Name:
3-Fluoro-4-methoxy-γ-oxobenzenebutanoic acid
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Synonyms:
Benzenebutanoic acid,3-fluoro-4-methoxy-γ-oxo-;Propionic acid,3-(3-fluoro-p-anisoyl)-;3-Fluoro-4-methoxy-γ-oxobenzenebutanoic acid;3-(3-Fluoro-4-methoxybenzoyl)propionic acid;NSC 87577;3-(4-Methoxy-3-fluorobenzoyl)propanoic acid;4-(3-Fluoro-4-methoxyphenyl)-4-oxobutanoic acid
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CAS No:
3-Fluoro-4-methoxy-γ-oxobenzenebutanoic acid Basic Attributes
226.20100
226.20
206-474-7
87577
DTXSID40188250
2918990090
Characteristics
63.60000
1.88180
1.279g/cm3
168-170 °C @ Solvent: Ethanol
422.6ºC at 760mmHg
209.4ºC
Safety Information
3
R36/37/38
S26-S36
Xi: Irritant;
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
Computed Properties
Molecular Weight:226.20
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:226.06413699
Monoisotopic Mass:226.06413699
Topological Polar Surface Area:63.6
Heavy Atom Count:16
Complexity:267
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Fluoro-4-methoxy-γ-oxobenzenebutanoic acid
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