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
-0.8978 -1.9056 1.4322 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3911 -0.6893 0.9895 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5696 -0.3957 1.3695 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6137 0.2054 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5881 -0.1708 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3859 0.6993 -1.0509 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5466 0.3635 -1.3993 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8992 1.9207 -1.4995 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2854 -2.3976 2.2497 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9949 1.1479 -0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9818 -1.1070 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3509 2.3294 -2.3038 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