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
    5.2467    0.1555   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8373    0.0600   -0.1029 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1543   -1.0712   -0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7749   -2.1010   -0.7933 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7072   -1.0606   -0.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0289    0.0070   -0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4209    0.0904   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0598    1.2567    0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4314    1.4010    0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139    0.3373   -0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6383   -0.8574   -0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2429   -0.9608   -0.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7062    0.5088    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6113    0.3300   -1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -0.7075    0.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    1.0733    0.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1707   -1.9665   -0.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5901    0.9041    0.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4459    2.0966    0.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9101    2.3372    0.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2749   -1.6786   -0.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483   -1.8975   -0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2284   -0.3848   -0.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0126    0.7109    1.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9175    1.4168   -0.5982 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