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
-2.5056 0.3541 -0.2791 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6988 -0.7527 -0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2761 -1.8703 0.0313 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2582 -0.6434 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2855 0.5742 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7066 0.7693 0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1962 1.9038 0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5295 -0.3051 0.3649 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5090 0.2730 -0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3223 -1.5234 0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3372 1.4424 -0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5448 -0.2219 0.2467 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