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101336-13-4 | 2-Thiophenepentanoic acid, 5-(3-phenylpropyl)-, ethyl ester
CAS No: 101336-13-4 Catalog No: AG00049B MDL No:
Product Description
Catalog Number:
AG00049B
Chemical Name:
2-Thiophenepentanoic acid, 5-(3-phenylpropyl)-, ethyl ester
CAS Number:
101336-13-4
Molecular Formula:
C20H26O2S
Molecular Weight:
330.4842
IUPAC Name:
ethyl 5-[5-(3-phenylpropyl)thiophen-2-yl]pentanoate
InChI:
InChI=1S/C20H26O2S/c1-2-22-20(21)14-7-6-12-18-15-16-19(23-18)13-8-11-17-9-4-3-5-10-17/h3-5,9-10,15-16H,2,6-8,11-14H2,1H3
InChI Key:
OSHHFFHZFZVNLU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCc1ccc(s1)CCCc1ccccc1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.165g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.486g/mol
Monoisotopic Mass:
330.165g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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