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
2.7904 -0.1242 0.0265 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3694 0.0057 0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0549 0.5171 1.2816 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4966 -0.4174 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7765 -0.3835 -0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6684 0.1095 0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9592 0.0821 -0.1203 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3582 0.6452 1.3097 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3778 0.4675 0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0111 -0.8444 -1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3160 -0.7680 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0220 0.7107 2.0790 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