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1694603-12-7 | 2-(5-formyl-1,3-thiazol-2-yl)-2-methylpropanenitrile
CAS No: 1694603-12-7 Catalog No: AG01DYTQ MDL No:
Product Description
Catalog Number:
AG01DYTQ
Chemical Name:
2-(5-formyl-1,3-thiazol-2-yl)-2-methylpropanenitrile
CAS Number:
1694603-12-7
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
IUPAC Name:
2-(5-formyl-1,3-thiazol-2-yl)-2-methylpropanenitrile
InChI:
InChI=1S/C8H8N2OS/c1-8(2,5-9)7-10-3-6(4-11)12-7/h3-4H,1-2H3
InChI Key:
IVVXYSDKQBNZQB-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(s1)C(C#N)(C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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