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88098-26-4 | 1,3-Dioxolane-2-butanenitrile, 2-(2-thienyl)-
CAS No: 88098-26-4 Catalog No: AG004EGY MDL No:
Product Description
Catalog Number:
AG004EGY
Chemical Name:
1,3-Dioxolane-2-butanenitrile, 2-(2-thienyl)-
CAS Number:
88098-26-4
Molecular Formula:
C11H13NO2S
Molecular Weight:
223.2914
IUPAC Name:
4-(2-thiophen-2-yl-1,3-dioxolan-2-yl)butanenitrile
InChI:
InChI=1S/C11H13NO2S/c12-6-2-1-5-11(13-7-8-14-11)10-4-3-9-15-10/h3-4,9H,1-2,5,7-8H2
InChI Key:
QWHVZHSQURCSDG-UHFFFAOYSA-N
SMILES:
N#CCCCC1(OCCO1)c1cccs1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.29g/mol
Monoisotopic Mass:
223.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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