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
    2.9223   -0.2223   -1.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0673   -0.3797   -0.3454 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379   -0.0277   -0.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3363    0.4130   -1.6255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2084   -0.1561    0.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4778    0.1773    0.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3706    0.0227    1.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9049   -0.4201    2.6347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7151    0.3403    1.5143 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    0.7853   -1.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037   -0.2830   -1.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7067   -0.9820   -2.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1453   -0.5335    1.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8335    0.5584   -0.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2200    0.7074    2.3367 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