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
-1.3918 0.1100 -1.4624 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5193 -0.7005 -0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6174 -1.3701 -0.3410 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5806 -0.8459 0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5581 -0.2844 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2018 0.6672 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7925 1.1429 -1.0520 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4814 1.1841 0.3992 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2240 0.5725 -1.8082 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8712 -1.5663 1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1219 -0.5596 1.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0486 1.6501 -0.2967 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