Propanoic acid, 3-cyano-


Chemical Name: Propanoic acid, 3-cyano-
CAS Number: 16051-87-9
Product Number: AG001RZN(AGN-PC-0JNXQD)
Synonyms:
MDL No: MFCD00233974
Molecular Formula: C4H5NO2
Molecular Weight: 99.0880

Identification/Properties


Properties
MP:
49.5-51.0℃
BP:
313.5°C at 760 mmHg
Storage:
Keep in dry area;-20 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
99.089g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
99.032g/mol
Monoisotopic Mass:
99.032g/mol
Topological Polar Surface Area:
61.1A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
110
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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