Propanedioic acid, propyl-, dimethyl ester


Chemical Name: Propanedioic acid, propyl-, dimethyl ester
CAS Number: 14035-96-2
Product Number: AG00701F(AGN-PC-0JS8LC)
Synonyms:
MDL No:
Molecular Formula: C8H14O4
Molecular Weight: 174.1944

Identification/Properties


Computed Properties
Molecular Weight:
174.196g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
174.089g/mol
Monoisotopic Mass:
174.089g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
148
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#:
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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