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
   -4.4513    1.1688   -0.2319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6727    0.0568    0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2400   -0.9523    0.5401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2433    0.0686   -0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4604   -0.9601    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510   -0.9239   -0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6659   -1.9241    0.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6171    0.1700   -0.7785 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0075    0.1568   -1.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8244   -0.0662    0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7035    0.8377    0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4106    1.2302    0.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7918    0.9538   -0.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020   -1.8451    0.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    1.1439   -1.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2560   -0.5857   -1.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559   -0.9721    0.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8162    1.7437   -0.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3178    0.6991    1.4117 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