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
    3.3130    0.2328    1.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    0.3638   -0.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8572    0.5812   -0.4094 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.2852   -1.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4284    0.0769   -1.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5277   -0.1374   -0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8697   -0.1544    0.9737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8535   -0.3489   -0.4415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7369   -0.5588    0.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1149   -0.7520    0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1103    0.0785    0.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    0.7675    1.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1888    0.4249   -2.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9693    0.0648   -2.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3871   -1.4639    1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7392    0.2665    1.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2882   -1.5826   -0.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9359    0.9070    1.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1076   -0.0627    0.0978 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