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
-2.3522 0.8925 -0.3898 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9371 -0.3853 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7622 -1.2866 0.2480 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5112 -0.6876 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4028 0.2223 -0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8168 -0.0537 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2272 -1.1958 0.0467 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7630 0.9095 -0.5744 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2748 1.2029 -0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1543 -1.6731 0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0341 1.2226 -0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7477 0.8322 -0.3245 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