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
2.9465 0.2213 -0.1885 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5255 0.3518 -0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1257 1.5078 -0.1571 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7062 -0.7983 0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5827 -0.8297 0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5638 0.2163 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2755 1.4040 0.0653 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9335 -0.0789 0.3604 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5203 0.9916 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2032 -1.8029 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0527 -1.8628 0.3734 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6193 0.6800 0.3448 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