3-[2-(4-tert-butylphenyl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-(4-tert-butylphenyl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b338d6203c4c41ea9151e5a40ce4673f.png "3-[2-(4-tert-butylphenyl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
851416-92-7
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Formula:
C21H20N2O4
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Chemical Name:
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
MLS000761151;SMR000365268;CHEMBL1588777;BDBM56780;cid_2469995;HMS2773A11;ZINC3352880;3-[2-(4-tert-butylphenyl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid;AKOS002502672;MCULE-2209124973;NCGC00279408-01;AB00651862-02;AB00651862-07;Z19628978;3-[2-(4-tert-butylphenyl)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid;3-[2-(4-tert-butylphenyl)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid;3-[2-(4-tert-butylphenyl)-2-oxoethyl]-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;3-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid;851416-92-7
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CAS No:
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
364.4 g/mol
364.14230712 g/mol
Computed Properties
Molecular Weight:364.4
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:364.14230712
Monoisotopic Mass:364.14230712
Topological Polar Surface Area:87
Heavy Atom Count:27
Complexity:641
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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