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179951-64-5 | 1-Propene-1,1,3-tricarbonitrile, 2-amino-3-[(5-nitro-2-thienyl)methylene]-
CAS No: 179951-64-5 Catalog No: AG0021IZ MDL No:
Product Description
Catalog Number:
AG0021IZ
Chemical Name:
1-Propene-1,1,3-tricarbonitrile, 2-amino-3-[(5-nitro-2-thienyl)methylene]-
CAS Number:
179951-64-5
Molecular Formula:
C11H5N5O2S
Molecular Weight:
271.2547
IUPAC Name:
2-amino-4-(5-nitrothiophen-2-yl)buta-1,3-diene-1,1,3-tricarbonitrile
InChI:
InChI=1S/C11H5N5O2S/c12-4-7(11(15)8(5-13)6-14)3-9-1-2-10(19-9)16(17)18/h1-3H,15H2
InChI Key:
NKVYIIASCYUJOP-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(s1)[N+](=O)[O-])C(=C(C#N)C#N)N
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.016g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.254g/mol
Monoisotopic Mass:
271.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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