CHEMBRDG-BB4012562
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CHEMBRDG-BB4012562
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CAS No:
30446-99-2
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Formula:
C10H8OS
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Chemical Name:
CHEMBRDG-BB4012562
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Synonyms:
2-methyl-1-benzothiophene-3-carbaldehyde;2-methylbenzo[b]thiophene-3-carbaldehyde;Benzo[b]thiophene-3-carboxaldehyde, 2-methyl-;2-Methylbenzo[b]thiophene-3-carboxaldehyde;SCHEMBL1093585;CTK1B3319;DTXSID10396264;CHEMBRDG-BB 4012562;ZINC5724454;5083AH
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CAS No:
Characteristics
45.31000
3.02220
1.25g/cm3
97-98 °C(Solv: ethanol (64-17-5))
318.9ºC at 760 mmHg
146.7ºC
1.692
Computed Properties
Molecular Weight:176.24
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:176.02958605
Monoisotopic Mass:176.02958605
Topological Polar Surface Area:45.3
Heavy Atom Count:12
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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