2-hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid
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2-hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid
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CAS No:
50439-07-1
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Formula:
C18H18O4
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Chemical Name:
2-hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid
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Synonyms:
2-hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid;50439-07-1;F 1242;BRN 2754288;5-(2-Phenylbutyryl)-2,3-cresotic acid;Acide (alpha ethyl phenacetyl)-5 orthocresotinique [French];2,3-CRESOTIC ACID, 5-(2-PHENYLBUTYRYL)-;Acide (alpha ethyl phenacetyl)-5 orthocresotinique;DTXSID90964682;Benzoic acid, 2-hydroxy-3-methyl-5-(1-oxo-2-phenylbutyl)- (9CI)
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CAS No:
Computed Properties
Molecular Weight:298.3
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:298.12050905
Monoisotopic Mass:298.12050905
Topological Polar Surface Area:74.6
Heavy Atom Count:22
Complexity:400
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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