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
   -5.4320    0.4804    1.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0472    0.6090    1.3424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1861    0.1799    0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6879   -0.3168   -0.6896 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7495    0.2748    0.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9622   -0.1425   -0.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4732   -0.0558   -0.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    0.4528    0.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5642    0.4945    0.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2906    0.0255   -0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5812   -0.4844   -1.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122   -0.5300   -1.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7911    0.0539   -0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8882   -0.2962    1.8191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6863    0.1252    0.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8976    1.4664    1.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3435    0.6992    1.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4306   -0.5667   -1.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6249    0.8281    1.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1104    0.9041    1.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -0.8517   -2.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433   -0.9490   -2.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1580    1.0431    0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1526    0.0122   -1.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2395   -0.7724    0.1574 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