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
Resources
cid=

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