Butanedioic acid, bis(1-methylpropyl) ester


Chemical Name: Butanedioic acid, bis(1-methylpropyl) ester
CAS Number: 626-31-3
Product Number: AG00EQYQ(AGN-PC-0JM0KI)
Synonyms:
MDL No:
Molecular Formula: C12H22O4
Molecular Weight: 230.3007

Identification/Properties


Properties
BP:
256°C (estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4238 (estimate)
Computed Properties
Molecular Weight:
230.304g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
9
Exact Mass:
230.152g/mol
Monoisotopic Mass:
230.152g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
201
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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