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
-2.6850 0.8923 0.8371 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3371 0.6657 0.4746 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6305 1.6850 0.5814 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8844 -0.6178 0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3147 -0.9254 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5028 -0.1267 -0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5933 1.0764 -0.0782 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7382 -0.6911 -0.7966 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9902 1.7098 1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6672 -1.4305 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4492 -2.0088 -0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5962 -0.2287 -0.6043 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