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
    4.7362    0.9638   -0.7488 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7791    0.3851    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1438   -0.0294    1.1834 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084    0.2709   -0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4709   -0.2760    0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830   -0.3925   -0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2696    0.0222   -1.2782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8620   -0.9789    0.6718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -1.1006    0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8084    0.1991   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8790    0.5948    0.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6126    1.3468   -0.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1531    0.6404   -1.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7422   -0.6442    1.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7346   -1.6612    1.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2711   -1.7757   -0.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3878    0.8457   -0.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3700    0.0147    1.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3468    1.5750    0.4146 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