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
    4.6019   -0.2612   -0.7151 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6213   -0.6333    0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9145   -1.3879    1.1610 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2349   -0.2170    0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025   -0.5777    0.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0909   -0.1275    0.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9799   -0.4722    1.5842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4677    0.6900   -0.2806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    1.1556   -0.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7579    0.0631   -0.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7692   -0.0619    0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5475   -0.1381   -0.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9603    0.4191   -0.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5612   -1.2136    1.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7475    1.7557   -1.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340    1.8423    0.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6262   -0.6345   -1.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8664    0.6452    0.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5177   -0.8460    0.0921 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