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163463-81-8 | [2,2':5',2''-Terthiophene]-3'-acetic acid
CAS No: 163463-81-8 Catalog No: AG001U4P MDL No:
Product Description
Catalog Number:
AG001U4P
Chemical Name:
[2,2':5',2''-Terthiophene]-3'-acetic acid
CAS Number:
163463-81-8
Molecular Formula:
C14H10O2S3
Molecular Weight:
306.4230
IUPAC Name:
2-(2,5-dithiophen-2-ylthiophen-3-yl)acetic acid
InChI:
InChI=1S/C14H10O2S3/c15-13(16)8-9-7-12(10-3-1-5-17-10)19-14(9)11-4-2-6-18-11/h1-7H,8H2,(H,15,16)
InChI Key:
CMHBJBNCKKYFOU-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(sc1c1cccs1)c1cccs1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.984g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.412g/mol
Monoisotopic Mass:
305.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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