Propanedioic acid, methyl ester


Chemical Name: Propanedioic acid, methyl ester
CAS Number: 16695-14-0
Product Number: AG001X1I(AGN-PC-0L09ER)
Synonyms:
MDL No:
Molecular Formula: C4H5O4-
Molecular Weight: 117.0801

Identification/Properties


Computed Properties
Molecular Weight:
118.088g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
118.027g/mol
Monoisotopic Mass:
118.027g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
107
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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