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142260-66-0 | 2-Thiophenebutanoic acid, 5-(3-phenylpropyl)-
CAS No: 142260-66-0 Catalog No: AG001I27 MDL No:
Product Description
Catalog Number:
AG001I27
Chemical Name:
2-Thiophenebutanoic acid, 5-(3-phenylpropyl)-
CAS Number:
142260-66-0
Molecular Formula:
C17H20O2S
Molecular Weight:
288.4045
IUPAC Name:
4-[5-(3-phenylpropyl)thiophen-2-yl]butanoic acid
InChI:
InChI=1S/C17H20O2S/c18-17(19)11-5-10-16-13-12-15(20-16)9-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,18,19)
InChI Key:
CHCFZZPAQZIYBP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1ccc(s1)CCCc1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.118g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.405g/mol
Monoisotopic Mass:
288.118g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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