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Home > Nitro Compounds > 179951-75-8
179951-75-8 | 2-Propenoic acid, 2-cyano-3-(5-nitro-3-thienyl)-, ethyl ester
CAS No: 179951-75-8 Catalog No: AG0021IX MDL No:
Product Description
Catalog Number:
AG0021IX
Chemical Name:
2-Propenoic acid, 2-cyano-3-(5-nitro-3-thienyl)-, ethyl ester
CAS Number:
179951-75-8
Molecular Formula:
C10H8N2O4S
Molecular Weight:
252.2465
IUPAC Name:
ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate
InChI:
InChI=1S/C10H8N2O4S/c1-2-16-10(13)8(5-11)3-7-4-9(12(14)15)17-6-7/h3-4,6H,2H2,1H3
InChI Key:
MSYNUKGVDDGYAQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1csc(c1)[N+](=O)[O-])C#N
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.02g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.244g/mol
Monoisotopic Mass:
252.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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