Propanoic acid, 2-isocyanato-, methyl ester, (S)-


Chemical Name: Propanoic acid, 2-isocyanato-, methyl ester, (S)-
CAS Number: 30293-82-4
Product Number: AG002ZJB(AGN-PC-0O8QOY)
Synonyms:
MDL No:
Molecular Formula: C5H7NO3
Molecular Weight: 129.1140

Identification/Properties


Properties
BP:
61 °C / 15mmHg
Storage:
-10 ℃;
Refractive Index:
-22.5 ° (C=neat)
Computed Properties
Molecular Weight:
129.115g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
129.043g/mol
Monoisotopic Mass:
129.043g/mol
Topological Polar Surface Area:
55.7A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
148
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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:
Danger
UN#:
2206
Hazard Statements:
H301+H311+H331-H315-H319-H226
Precautionary Statements:
P501-P261-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P303+P361+P353-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P403+P235-P405
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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