Mono-n-pentyl phthalate
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Mono-n-pentyl phthalate
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CAS No:
24539-56-8
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Formula:
C13H16O4
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Chemical Name:
Mono-n-pentyl phthalate
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Synonyms:
1,2-Benzenedicarboxylic acid,1-pentyl ester;Phthalic acid,monopentyl ester;1,2-Benzenedicarboxylic acid,monopentyl ester;Phthalic acid,pentyl ester;Monoamyl phthalate;Mono-n-pentyl phthalate;Monopentyl phthalate
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CAS No:
Description
Monopentyl phthalate is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of pentanol. It has a role as a xenobiotic metabolite, an anti-estrogen and a rat metabolite. It derives from a pentan-1-ol.
Computed Properties
Molecular Weight:236.26
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:236.10485899
Monoisotopic Mass:236.10485899
Topological Polar Surface Area:63.6
Heavy Atom Count:17
Complexity:262
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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