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1333802-44-0 | 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetonitrile
CAS No: 1333802-44-0 Catalog No: AG01AK93 MDL No:MFCD19982477
Product Description
Catalog Number:
AG01AK93
Chemical Name:
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetonitrile
CAS Number:
1333802-44-0
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
MDL Number:
MFCD19982477
IUPAC Name:
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetonitrile
InChI:
InChI=1S/C9H12N2OS/c1-3-12-7(2)9-11-8(4-5-10)6-13-9/h6-7H,3-4H2,1-2H3
InChI Key:
QVLQSSWQFMEBEK-UHFFFAOYSA-N
SMILES:
CC(c1nc(cs1)CC#N)OCC
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.268g/mol
Monoisotopic Mass:
196.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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