2-Butenedioic acid, 2-methyl-, dimethyl ester, (2Z)-


Chemical Name: 2-Butenedioic acid, 2-methyl-, dimethyl ester, (2Z)-
CAS Number: 617-54-9
Product Number: AG003P0B(AGN-PC-0ODH4L)
Synonyms:
MDL No:
Molecular Formula: C7H10O4
Molecular Weight: 158.1519

Identification/Properties


Properties
BP:
210.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.4460-1.4490
Computed Properties
Molecular Weight:
158.153g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
158.058g/mol
Monoisotopic Mass:
158.058g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
193
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1993
Hazard Statements:
H227
Precautionary Statements:
P210-P280-P403+P235-P501
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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