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123293-56-1 | 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)-
CAS No: 123293-56-1 Catalog No: AG000KA5 MDL No:MFCD00176374
Product Description
Catalog Number:
AG000KA5
Chemical Name:
2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)-
CAS Number:
123293-56-1
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
MDL Number:
MFCD00176374
IUPAC Name:
ethyl 2-cyano-3-thiophen-3-ylprop-2-enoate
InChI:
InChI=1S/C10H9NO2S/c1-2-13-10(12)9(6-11)5-8-3-4-14-7-8/h3-5,7H,2H2,1H3
InChI Key:
VUIZJFXISSCVIJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/c1cscc1)/C#N
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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