Propanedioic acid, phenyl-


Chemical Name: Propanedioic acid, phenyl-
CAS Number: 2613-89-0
Product Number: AG002RSE(AGN-PC-004CZJ)
Synonyms:
MDL No:
Molecular Formula: C9H8O4
Molecular Weight: 180.1574

Identification/Properties


Properties
MP:
149-152 °C (dec.)(lit.)
BP:
363°C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.4500 (estimate)
Computed Properties
Molecular Weight:
180.159g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
180.042g/mol
Monoisotopic Mass:
180.042g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
192
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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


NMR Spectrum


Other Analytical Data


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