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
2.9514 -0.0101 0.3020 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7288 0.1230 -0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8074 0.4048 -1.5915 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4532 -0.0564 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6477 0.0869 -0.4043 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9484 -0.0849 0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0022 0.0506 -0.4326 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0479 -0.3976 1.5910 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8402 0.0049 -0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3955 -0.2985 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6078 0.3278 -1.4482 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9225 -0.1505 2.0374 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