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115770-26-8 | 2-Propenoic acid, 3-(5-dodecyl-2-thienyl)-
CAS No: 115770-26-8 Catalog No: AG000GUV MDL No:
Product Description
Catalog Number:
AG000GUV
Chemical Name:
2-Propenoic acid, 3-(5-dodecyl-2-thienyl)-
CAS Number:
115770-26-8
Molecular Formula:
C19H30O2S
Molecular Weight:
322.5053
IUPAC Name:
3-(5-dodecylthiophen-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C19H30O2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-18(22-17)15-16-19(20)21/h13-16H,2-12H2,1H3,(H,20,21)
InChI Key:
SQJYPWNZXCWLQB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(s1)C=CC(=O)O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.197g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.507g/mol
Monoisotopic Mass:
322.197g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.7
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