Monomers
Fumaric acid
Identifiers
IUPAC name
(E)-but-2-enedioic acid
InchI
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
InchI Key
VZCYOOQTPOCHFL-OWOJBTEDSA-N
SMILES
OC(=O)/C=C/C(=O)O
Canonical SMILES
C(=CC(=O)O)C(=O)O
Isomeric SMILES
C(=C/C(=O)O)\C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H4O4
Heavy Atom Count
8
Molecular Weight
116.072
Exact Molecular Weight
116.011
Valence Electrons
44
Radical Electrons
0
tPSA
74.6
MolLogP
-0.2882
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
12 11 0 0 0 0 0 0 0 0999 V2000
2.5601 -0.3397 1.0317 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2562 -0.3596 0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8848 -1.5038 0.1326 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5229 0.8622 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6589 1.1044 -0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5621 0.1118 -0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7108 0.5171 -1.1041 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3747 -1.2330 -0.7982 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1335 -1.1801 1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0694 1.7618 0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0082 2.1792 -0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1123 -1.9204 -0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 2 3
5 6 1 0
6 7 2 0
6 8 1 0
1 9 1 0
4 10 1 0
5 11 1 0
8 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers