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
   -2.4318    1.6638    0.6839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2080    0.6859    0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4621    1.0315    0.0350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8343   -0.5988   -0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6796   -1.1553   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483   -0.5655    0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2965    0.5528    0.6280 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7681   -1.3082    0.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9866   -0.7773    0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098    0.4481   -0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5650    0.4926   -0.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6901    2.6508    0.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6608   -1.2293   -0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -2.1921   -0.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7992   -1.5212    0.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8329   -0.5401    1.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8165    1.3537   -0.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9168    1.3819   -1.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2251   -0.3732   -0.8900 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