Monomers
Allyl hydrogen maleate
Identifiers
IUPAC name
(Z)-4-oxo-4-prop-2-enoxybut-2-enoic acid
InchI
InChI=1S/C7H8O4/c1-2-5-11-7(10)4-3-6(8)9/h2-4H,1,5H2,(H,8,9)/b4-3-
InchI Key
PEKZMKOVRVVTTN-ARJAWSKDSA-N
SMILES
OC(=O)/C=C\C(=O)OCC=C
Canonical SMILES
C=CCOC(=O)C=CC(=O)O
Isomeric SMILES
C=CCOC(=O)/C=C\C(=O)O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H8O4
Heavy Atom Count
11
Molecular Weight
156.137
Exact Molecular Weight
156.0423
Valence Electrons
60
Radical Electrons
0
tPSA
63.6
MolLogP
0.3564
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
19 18 0 0 0 0 0 0 0 0999 V2000
-2.2052 1.4399 0.2797 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9852 0.4105 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2245 0.7135 -0.3313 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5701 -0.9408 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4047 -1.4924 -0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1556 -0.9088 0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8977 -1.6510 0.0835 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0583 0.3900 0.4616 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3437 0.8061 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3212 0.6496 -0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3766 -0.1212 -0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4437 2.4272 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3990 -1.6089 -0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3631 -2.5723 -0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2716 1.8959 1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6544 0.3065 1.7879 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1892 1.1653 -1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5115 -0.6391 0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1269 -0.2700 -0.8488 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
8 9 1 0
9 10 1 0
10 11 2 3
1 12 1 0
4 13 1 0
5 14 1 0
9 15 1 0
9 16 1 0
10 17 1 0
11 18 1 0
11 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers