7-oxo-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylic acid
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![7-oxo-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c7bb4eda26cf44658ba856c7e66f3d24.png "7-oxo-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylic acid")
7-oxo-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylic acid
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CAS No:
86803-21-6
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Formula:
C21H14O3
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Chemical Name:
7-oxo-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylic acid
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Synonyms:
86803-21-6;7-oxo-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-10-carboxylic acid;7-Oxo-7,8,9,10-tetrahydrobenzo(pqr)tetraphene-10-carboxylic acid;DTXSID801007095;Benzo(pqr)tetraphene-10-carboxylic acid, 7-oxo-7,8,9,10-tetrahydro-
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CAS No:
7-oxo-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylic acid Basic Attributes
314.3 g/mol
314.094294304 g/mol
Computed Properties
Molecular Weight:314.3
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:314.094294304
Monoisotopic Mass:314.094294304
Topological Polar Surface Area:54.4
Heavy Atom Count:24
Complexity:555
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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