Butanoic acid, 4-isocyanato-, ethyl ester


Chemical Name: Butanoic acid, 4-isocyanato-, ethyl ester
CAS Number: 106508-62-7
Product Number: AG003QB5(AGN-PC-0KUJ5O)
Synonyms:
MDL No:
Molecular Formula: C7H11NO3
Molecular Weight: 157.1671

Identification/Properties


Properties
Storage:
-10 ℃;
Computed Properties
Molecular Weight:
157.169g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
157.074g/mol
Monoisotopic Mass:
157.074g/mol
Topological Polar Surface Area:
55.7A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
161
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-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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