200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1255574-90-3
1255574-90-3 | Acetic acid, 2-cyano-2-(5-nitro-2(1H)-pyridinylidene)-, 1,1-dimethylethyl ester
CAS No: 1255574-90-3 Catalog No: AG000NUX MDL No:MFCD17214297
Product Description
Catalog Number:
AG000NUX
Chemical Name:
Acetic acid, 2-cyano-2-(5-nitro-2(1H)-pyridinylidene)-, 1,1-dimethylethyl ester
CAS Number:
1255574-90-3
Molecular Formula:
C12H13N3O4
Molecular Weight:
263.2493
MDL Number:
MFCD17214297
IUPAC Name:
tert-butyl (2E)-2-cyano-2-(5-nitro-1H-pyridin-2-ylidene)acetate
InChI:
InChI=1S/C12H13N3O4/c1-12(2,3)19-11(16)9(6-13)10-5-4-8(7-14-10)15(17)18/h4-5,7,14H,1-3H3/b10-9+
InChI Key:
GMFFWYZEYQEJDE-MDZDMXLPSA-N
SMILES:
N#CC(=c1ccc(c[nH]1)[N+](=O)[O-])C(=O)OC(C)(C)C
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
263.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.253g/mol
Monoisotopic Mass:
263.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.