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
    5.6105   -0.2796   -0.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2570   -0.0771   -0.7740 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2013   -0.2371    0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5187   -0.5582    1.2970 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8168   -0.0451   -0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8726   -0.2134    0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5537   -0.0527    0.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4444   -0.2540    1.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8171   -0.1068    1.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3402    0.2413   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4507    0.4434   -1.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760    0.2976   -0.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8085    0.3858   -0.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000    0.6519    0.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6672   -1.1639    0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2574   -0.4060   -1.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5478    0.2290   -1.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581   -0.4965    1.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0709   -0.5334    2.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5108   -0.2695    2.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8058    0.7185   -2.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3929    0.4596   -1.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0331    1.2033   -0.9183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1831   -0.5983   -0.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3202    0.6613    0.7447 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