Butanedioic acid, (phenylmethyl)-, (2S)-


Chemical Name: Butanedioic acid, (phenylmethyl)-, (2S)-
CAS Number: 3972-36-9
Product Number: AG003CL4(AGN-PC-0O9VTW)
Synonyms:
MDL No:
Molecular Formula: C11H12O4
Molecular Weight: 208.2106

Identification/Properties


Properties
MP:
164.0 to 168.0 °C
BP:
331.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
208.213g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
208.074g/mol
Monoisotopic Mass:
208.074g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
231
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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