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
2.7508 0.4385 0.3938 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3523 0.3367 0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7349 1.2066 0.9906 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6838 -0.6833 -0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5673 -0.9381 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7188 -0.2623 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8929 -0.6826 -0.3783 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7042 0.8363 0.7405 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1240 1.3611 0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3769 -1.3918 -0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7941 -1.8265 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3455 1.6054 0.6407 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