Butanoic acid, 2-isocyanato-3-methyl-, methyl ester, (2S)-


Chemical Name: Butanoic acid, 2-isocyanato-3-methyl-, methyl ester, (2S)-
CAS Number: 30293-86-8
Product Number: AG002ZJA(AGN-PC-0O8QJ7)
Synonyms:
MDL No:
Molecular Formula: C7H11NO3
Molecular Weight: 157.1671

Identification/Properties


Properties
Form:
Liquid
Computed Properties
Molecular Weight:
157.169g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
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:
182
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

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NMR Spectrum


Other Analytical Data


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