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869709-82-0 | (2E)-3-ethoxy-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CAS No: 869709-82-0 Catalog No: AG019OMS MDL No:MFCD07366376
Product Description
Catalog Number:
AG019OMS
Chemical Name:
(2E)-3-ethoxy-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CAS Number:
869709-82-0
Molecular Formula:
C9H10N2OS
Molecular Weight:
194.2535
MDL Number:
MFCD07366376
IUPAC Name:
3-ethoxy-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
InChI:
InChI=1S/C9H10N2OS/c1-3-12-5-8(4-10)9-11-7(2)6-13-9/h5-6H,3H2,1-2H3
InChI Key:
XJOBICKWCHNBSN-UHFFFAOYSA-N
SMILES:
CCO/C=C(/c1scc(n1)C)\C#N
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.252g/mol
Monoisotopic Mass:
194.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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