2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester


Chemical Name: 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester
CAS Number: 7498-85-3
Product Number: AG003Q3U(AGN-PC-0JMIUF)
Synonyms:
MDL No:
Molecular Formula: C16H13NO2
Molecular Weight: 251.2799

Identification/Properties


Computed Properties
Molecular Weight:
251.285g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
251.095g/mol
Monoisotopic Mass:
251.095g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
404
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3077
Hazard Statements:
H410
Precautionary Statements:
P273-P391-P501
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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