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
2.6971 0.3120 -0.9215 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2991 0.3308 -0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7780 1.4381 -0.8244 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6564 -0.8837 -0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5870 -1.0242 0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6504 -0.0589 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8404 -0.4638 0.4089 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5899 1.2663 -0.2971 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2375 1.1792 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2885 -1.7931 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8751 -2.0624 0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4137 1.7597 -0.6666 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