Pentanoic acid, 2-isocyanato-4-methyl-, methyl ester, (2S)-


Chemical Name: Pentanoic acid, 2-isocyanato-4-methyl-, methyl ester, (2S)-
CAS Number: 39570-63-3
Product Number: AG003CDP(AGN-PC-0O9V7G)
Synonyms:
MDL No:
Molecular Formula: C8H13NO3
Molecular Weight: 171.19372

Identification/Properties


Properties
BP:
74 °C / 5mmHg
Storage:
2-8℃;
Refractive Index:
1.4290-1.4330
Computed Properties
Molecular Weight:
171.196g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
171.09g/mol
Monoisotopic Mass:
171.09g/mol
Topological Polar Surface Area:
55.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
195
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


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback