Butanedioic acid, acetyl-, diethyl ester


Chemical Name: Butanedioic acid, acetyl-, diethyl ester
CAS Number: 1115-30-6
Product Number: AG003PG4(AGN-PC-007P1V)
Synonyms:
MDL No:
Molecular Formula: C10H16O5
Molecular Weight: 216.2310

Identification/Properties


Properties
MP:
-8 °C
BP:
180-183°C at 50 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.435(lit.)
Computed Properties
Molecular Weight:
216.233g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
8
Exact Mass:
216.1g/mol
Monoisotopic Mass:
216.1g/mol
Topological Polar Surface Area:
69.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
246
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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