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
    5.5266    0.6963   -0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1611    1.0599   -0.3847 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2186    0.0989   -0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611   -1.0439    0.3907 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866    0.3350   -0.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9011   -0.5894    0.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5268   -0.3737    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0914    0.7953   -0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4657    0.8800   -0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3240   -0.1386   -0.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7429   -1.2945    0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760   -1.4257    0.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8072    0.0379   -0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424    0.0729   -1.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0988    1.6316   -0.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5880    0.1333    0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5051    1.3078   -0.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2794   -1.5423    0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    1.6236   -0.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8860    1.8166   -0.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3977   -2.1254    0.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9411   -2.3590    0.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0054    1.0904    0.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3540   -0.6583    0.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0883   -0.0288   -1.3498 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