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
2.8056 0.0815 0.7191 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 -0.1783 -0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1718 -0.5668 -1.3681 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4211 -0.0022 0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5233 -0.2464 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9448 -0.0626 -0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8002 -0.3087 -1.3208 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3515 0.3589 0.7979 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7521 0.3891 0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1392 0.3330 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2204 -0.5772 -1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2755 0.7797 0.9817 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