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
2.3904 -0.0868 0.7708 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8842 -0.1780 -0.5042 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6584 -0.3471 -1.4635 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4607 -0.0777 -0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3699 0.1022 0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8058 0.2017 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3003 0.1224 -1.1059 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7020 0.3904 1.0909 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3402 -0.4291 0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0548 -0.1498 -1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0053 0.1767 1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6161 -0.0864 1.1172 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