Computed Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.205g/mol
Monoisotopic Mass:
178.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Synonyms
benzo[b]thiophene-4-carboxylic acid
10134-95-9
DTXSID90359993
REVHWEJAHDLSTJ-UHFFFAOYSA-N
Benzo[b]thiophene-4-carboxylicacid
ZINC730811
KS-00000FQ1
ANW-57162
FCH832562
MFCD01929340
RB3274
AKOS000282503
Benzothiophene-4-carboxylic Acid
DS-2214
FS-3609
MP-1405
AJ-23840
AB0037811
AX8115920
DB-008924
TC-145907
4CH-007067
FT-0696408
1-benzothiophene-4-carboxylic acid
ST24030120
Y5142
501B174
C9H6O2S
Benzo[b]thiophene-7-carboxylic acid
CID1051638
FS002050
10501-17-4
AK-65237
akos bc-0215
AC1LKWC8
4-benzothiophenecarboxylic acid
SCHEMBL2083799
CTK0H1721
