4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLIC ACID


Chemical Name: 4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLIC ACID
CAS Number: 898391-69-0
Product Number: AG01DTAT(AG01DTAT)
Synonyms:
MDL No:
Molecular Formula: C11H14O2S
Molecular Weight: 210.2927

Identification/Properties


Computed Properties
Molecular Weight:
210.291g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
210.071g/mol
Monoisotopic Mass:
210.071g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
217
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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