6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid
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6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid
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CAS No:
6742-32-1
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Formula:
C13H14O3
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Chemical Name:
6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid
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Synonyms:
5H-Benzocycloheptene-6-acetic acid,6,7,8,9-tetrahydro-5-oxo-;6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid;NSC 401469;2-[5-Oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid;2-(5-Oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)acetic acid
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CAS No:
6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid Basic Attributes
218.25 g/mol
218.25
401469
DTXSID50322527
Computed Properties
Molecular Weight:218.25
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:218.094294304
Monoisotopic Mass:218.094294304
Topological Polar Surface Area:54.4
Heavy Atom Count:16
Complexity:285
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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