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
   -4.1898    1.2377   -0.2929 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9888   -0.0720   -0.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9922   -0.7401   -1.0488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6438   -0.6812   -0.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6221    0.0328   -0.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2808   -0.5424   -0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0886   -1.7493   -0.7115 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8440    0.1616    0.0404 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1187   -0.4501    0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1889    0.4738    0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1994    0.7999   -0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1322    1.5144   -0.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5239   -1.6939   -1.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7311    1.0557   -0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1571   -1.3939    0.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3195   -0.7084   -1.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1496    0.9006    1.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9712    1.4711   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2447    0.3837   -1.3329 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