Monomers

Monomethyl maleate

Identifiers

IUPAC name
(Z)-4-methoxy-4-oxobut-2-enoic acid
InchI
InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2-
InchI Key
NKHAVTQWNUWKEO-IHWYPQMZSA-N
SMILES
COC(=O)/C=C\C(=O)O
Canonical SMILES
COC(=O)C=CC(=O)O
Isomeric SMILES
COC(=O)/C=C\C(=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H6O4
Heavy Atom Count
9
Molecular Weight
130.099
Exact Molecular Weight
130.0266
Valence Electrons
50
Radical Electrons
0
tPSA
63.6
MolLogP
-0.1998
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

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.8489    0.7396   -0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870   -0.3569    0.0739 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5913   -0.1690   -0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2719    1.0232   -0.2548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3231   -1.2650    0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5948   -1.2308    0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4827   -0.1286   -0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7664   -0.3375   -0.1986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1649    1.1919   -0.3991 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4283    0.8527    0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5313    0.5189   -0.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3135    1.6657   -0.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1540   -2.2492    0.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1245   -2.2101    0.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6696    1.9551    0.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  5 13  1  0
  6 14  1  0
  9 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers