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1221794-83-7 | Acetic acid, 2-cyano-2-(5-nitro-2(1H)-pyridinylidene)-, methyl ester
CAS No: 1221794-83-7 Catalog No: AG0016VS MDL No:MFCD16036153
Product Description
Catalog Number:
AG0016VS
Chemical Name:
Acetic acid, 2-cyano-2-(5-nitro-2(1H)-pyridinylidene)-, methyl ester
CAS Number:
1221794-83-7
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
MDL Number:
MFCD16036153
IUPAC Name:
methyl (2Z)-2-cyano-2-(5-nitro-1H-pyridin-2-ylidene)acetate
InChI:
InChI=1S/C9H7N3O4/c1-16-9(13)7(4-10)8-3-2-6(5-11-8)12(14)15/h2-3,5,11H,1H3/b8-7-
InChI Key:
YCCVKFVOTUBORA-FPLPWBNLSA-N
SMILES:
N#CC(=c1ccc(c[nH]1)[N+](=O)[O-])C(=O)OC
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
221.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.172g/mol
Monoisotopic Mass:
221.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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