Butanedioic acid, methyl-, (2S)-


Chemical Name: Butanedioic acid, methyl-, (2S)-
CAS Number: 2174-58-5
Product Number: AG003CE7(AGN-PC-0O7WGS)
Synonyms:
MDL No:
Molecular Formula: C5H8O4
Molecular Weight: 132.1146

Identification/Properties


Properties
MP:
110-115 °C(lit.)
BP:
236.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
-15.5 ° (C=2, EtOH)
Computed Properties
Molecular Weight:
132.115g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
132.042g/mol
Monoisotopic Mass:
132.042g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
129
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:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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