Monomers
Maleic acid
Identifiers
IUPAC name
(Z)-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-UPHRSURJSA-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
-2.9395 0.2936 -0.1913 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5446 0.3105 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2315 1.1326 0.9711 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6398 -0.5448 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6370 -0.6611 -0.5064 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5337 0.0414 0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1781 0.9148 1.1871 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9198 -0.2629 0.3115 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4600 1.1381 0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1119 -1.2100 -1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1266 -1.4116 -1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5322 0.2594 0.9474 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