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
-4.8669 -0.7222 -0.1804 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7380 -0.2092 0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8403 0.2217 1.6043 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4367 -0.1607 -0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3907 0.3404 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0972 0.3970 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0203 -0.0345 -1.4869 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0372 0.9047 0.2920 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2727 0.9379 -0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7338 -0.4134 -0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8984 -0.8508 -0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8171 -0.3951 0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3345 -0.5281 -1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4818 0.7108 1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1450 1.5480 -1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0053 1.3947 0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1308 -1.0380 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2475 -1.8554 -0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5123 -0.2479 0.3111 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