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
-4.4513 1.1688 -0.2319 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6727 0.0568 0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2400 -0.9523 0.5401 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2433 0.0686 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4604 -0.9601 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0510 -0.9239 -0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6659 -1.9241 0.0132 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6171 0.1700 -0.7785 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0075 0.1568 -1.0281 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8244 -0.0662 0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7035 0.8377 0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4106 1.2302 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7918 0.9538 -0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9020 -1.8451 0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2588 1.1439 -1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2560 -0.5857 -1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7559 -0.9721 0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8162 1.7437 -0.0335 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3178 0.6991 1.4117 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