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26420-27-9 | 3-Thiophenebutanoic acid, 2,5-dimethyl-
CAS No: 26420-27-9 Catalog No: AG002T4N MDL No:MFCD11189586
Product Description
Catalog Number:
AG002T4N
Chemical Name:
3-Thiophenebutanoic acid, 2,5-dimethyl-
CAS Number:
26420-27-9
Molecular Formula:
C10H14O2S
Molecular Weight:
198.2820
MDL Number:
MFCD11189586
IUPAC Name:
4-(2,5-dimethylthiophen-3-yl)butanoic acid
InChI:
InChI=1S/C10H14O2S/c1-7-6-9(8(2)13-7)4-3-5-10(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChI Key:
RSLTWBYDRVPLDX-UHFFFAOYSA-N
SMILES:
Cc1sc(cc1CCCC(=O)O)C
NSC Number:
170644
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.28g/mol
Monoisotopic Mass:
198.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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