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
2.7006 -0.4640 0.7140 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3901 -0.1123 0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 0.9046 -0.3624 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2606 -0.8817 0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9894 -0.6952 0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6150 0.3438 -0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8992 0.3381 -0.4088 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0077 1.3897 -0.9309 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5014 0.0993 0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5356 -1.7762 1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7002 -1.4517 0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4817 2.3056 -0.9077 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