Pentanedioic acid, 3-(cyanomethylene)-, dimethyl ester


Chemical Name: Pentanedioic acid, 3-(cyanomethylene)-, dimethyl ester
CAS Number: 1709-25-7
Product Number: AG00785I(AGN-PC-0JNSHQ)
Synonyms:
MDL No:
Molecular Formula: C9H11NO4
Molecular Weight: 197.1879

Identification/Properties


Computed Properties
Molecular Weight:
197.19g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
197.069g/mol
Monoisotopic Mass:
197.069g/mol
Topological Polar Surface Area:
76.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
277
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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