Butanoic acid, 2-methyl-, methyl ester


Chemical Name: Butanoic acid, 2-methyl-, methyl ester
CAS Number: 868-57-5
Product Number: AG003ROR(AGN-PC-0D8ZR2)
Synonyms:
MDL No:
Molecular Formula: C6H12O2
Molecular Weight: 116.1583

Identification/Properties


Properties
BP:
115°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
116.16g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
116.084g/mol
Monoisotopic Mass:
116.084g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
78.6
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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


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