3-nitro-2-octoxycarbonylbenzoic acid
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3-nitro-2-octoxycarbonylbenzoic acid
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CAS No:
6744-94-1
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Formula:
C16H21NO6
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Chemical Name:
3-nitro-2-octoxycarbonylbenzoic acid
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Synonyms:
3-nitro-phthalic acid-2-octyl ester; 3-nitro-2-[(octyloxy)carbonyl]benzoic acid; 3-Nitro-phthalsaeure-2-octylester;
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CAS No:
3-nitro-2-octoxycarbonylbenzoic acid Basic Attributes
323.34100
323.13688739 g/mol
87166
DTXSID60293092
Computed Properties
Molecular Weight:323.34
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:323.13688739
Monoisotopic Mass:323.13688739
Topological Polar Surface Area:109
Heavy Atom Count:23
Complexity:406
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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