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26461-80-3 | Benzo[b]thiophene-3-propanoic acid
CAS No: 26461-80-3 Catalog No: AG002TBP MDL No:MFCD11045734
Product Description
Catalog Number:
AG002TBP
Chemical Name:
Benzo[b]thiophene-3-propanoic acid
CAS Number:
26461-80-3
Molecular Formula:
C11H10O2S
Molecular Weight:
206.2609
MDL Number:
MFCD11045734
IUPAC Name:
3-(1-benzothiophen-3-yl)propanoic acid
InChI:
InChI=1S/C11H10O2S/c12-11(13)6-5-8-7-14-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H,12,13)
InChI Key:
GTCFFWIYYOTHRS-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1csc2c1cccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.259g/mol
Monoisotopic Mass:
206.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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