Monomers

Methyl (2E)-3-(4-methylphenyl)propenoate

Identifiers

IUPAC name
methyl 3-(4-methylphenyl)prop-2-enoate
InchI
InChI=1S/C11H12O2/c1-9-3-5-10(6-4-9)7-8-11(12)13-2/h3-8H,1-2H3
InchI Key
WLJBRXRCJNSDHT-UHFFFAOYSA-N
SMILES
COC(=O)C=Cc1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)C=CC(=O)OC
Isomeric SMILES
CC1=CC=C(C=C1)C=CC(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.1812
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 25 25  0  0  0  0  0  0  0  0999 V2000
    5.1687    0.5801    0.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7987    0.3464    0.2443 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1956   -0.8891    0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9377   -1.9024    0.0836 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7224   -1.0474    0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0118    0.0502    0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4252    0.0726    0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1195    1.2753    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4898    1.3092    0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2193    0.1458   -0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5564   -1.0546   -0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1545   -1.0640   -0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7049    0.1387   -0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6789    0.6364   -0.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7252   -0.1116    0.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2968    1.6093    0.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2613   -1.9912   -0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027    1.0402    0.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102    2.2280    0.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0548    2.2508    0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0732   -2.0085   -0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768   -2.0276   -0.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0652   -0.5438   -0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0309    1.1748   -0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1190   -0.2174    0.8013 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
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
 12  7  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  5 17  1  0
  6 18  1  0
  8 19  1  0
  9 20  1  0
 11 21  1  0
 12 22  1  0
 13 23  1  0
 13 24  1  0
 13 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers