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
-1.9693 0.2997 -1.7246 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8264 0.4257 -0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8443 0.7856 0.2941 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5491 0.1438 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4951 -0.2340 -0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7875 -0.5294 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7203 -0.8817 -0.6028 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0721 -0.4479 1.5133 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7607 0.7425 -2.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4999 0.2579 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3602 -0.3234 -1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0144 -0.2389 1.8586 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