2-Butenedioic acid (2Z)-


Chemical Name: 2-Butenedioic acid (2Z)-
CAS Number: 110-16-7
Product Number: AG0038ZI(AGN-PC-0P0A1T)
Synonyms:
MDL No:
Molecular Formula: C4H4O4
Molecular Weight: 116.0722

Identification/Properties


Computed Properties
Molecular Weight:
116.072g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
116.011g/mol
Monoisotopic Mass:
116.011g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
119
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#:
3077
Hazard Statements:
H302+H312-H315-H317-H318-H335
Precautionary Statements:
P280-P301+P312+P330-P305+P351+P338+P310
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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