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
2.6196 -1.5976 0.0542 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8152 -0.4776 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3639 0.6385 -0.1914 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3676 -0.5472 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3688 0.5379 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8365 0.4703 -0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3804 -0.6588 0.0366 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6412 1.5713 -0.2082 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5960 -1.5040 -0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1060 -1.5336 0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1263 1.4875 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5559 1.6132 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