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
    4.2059    0.8044    0.1499 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9589   -0.5220    0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9253   -1.2856    0.7947 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5943   -1.0074    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6178   -0.2021    0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2637   -0.7026    0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0595   -1.9057    0.3027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8360    0.0643   -0.3342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1561   -0.4957   -0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1596    0.5046   -0.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1439    0.8141    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1423    1.1784    0.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3969   -2.0634    0.6585 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8200    0.8235   -0.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1157   -1.3061   -1.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4111   -0.9247    0.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0490    0.9659   -1.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2461    0.3541    0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8670    1.5531   -0.2785 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