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
    3.8454   -0.8836   -1.8682 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7174    0.4149   -1.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6151    1.2549   -1.6239 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5185    0.8188   -0.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5189   -0.0065   -0.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3420    0.4614    0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2848    1.6759    0.6388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7389   -0.3245    0.5603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8788    0.1305    1.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8946   -0.9018    1.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1040   -0.7337    0.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7120   -1.0982   -2.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4128    1.8539   -0.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5356   -1.0524   -0.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6309    0.5670    2.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3097    0.9529    0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7023   -1.8273    2.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3477    0.1604    0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8954   -1.4627    1.0773 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