2-[(3-methyladamantane-1-carbonyl)amino]benzoic acid
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![2-[(3-methyladamantane-1-carbonyl)amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8c60bedfe90940ef8573f27c1db530c0.png "2-[(3-methyladamantane-1-carbonyl)amino]benzoic acid")
2-[(3-methyladamantane-1-carbonyl)amino]benzoic acid
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CAS No:
50741-81-6
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Formula:
C19H23NO3
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Chemical Name:
2-[(3-methyladamantane-1-carbonyl)amino]benzoic acid
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Synonyms:
50741-81-6;BRN 2769356;N-(5-Methyl-3-adamantylcarbonyl)anthranilic acid;N-(5-Methyl-3-adamantoyl)anthranilic acid;Anthranilic acid, N-(5-methyl-3-adamantylcarbonyl)-;2-(((3-Methyltricyclo(3.3.1.1(sup 3,7))dec-1-yl)carbonyl)amino)benzoic acid;Benzoic acid, 2-(((3-methyltricyclo(3.3.1.1(sup 3,7))dec-1-yl)carbonyl)amino)-;DTXSID00964976;2-{[Hydroxy(3-methyladamantan-1-yl)methylidene]amino}benzoic acid
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CAS No:
2-[(3-methyladamantane-1-carbonyl)amino]benzoic acid Basic Attributes
313.4 g/mol
313.16779360 g/mol
Computed Properties
Molecular Weight:313.4
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:313.16779360
Monoisotopic Mass:313.16779360
Topological Polar Surface Area:66.4
Heavy Atom Count:23
Complexity:515
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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