Monomers

Methyl 2-benzylacrylate

Identifiers

IUPAC name
methyl 2-benzylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InchI Key
DQQJYBYIABSMFM-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)Cc1ccccc1
Canonical SMILES
COC(=O)C(=C)CC1=CC=CC=C1
Isomeric SMILES
COC(=O)C(=C)CC1=CC=CC=C1
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
1.9583
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
   -3.9246    0.7147   -0.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0356   -0.3919   -0.4836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8183   -0.1985    0.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5679    0.9713    0.5386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8914   -1.2782    0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2088   -2.4872   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3914   -1.0946    1.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205   -0.1465    0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1180   -0.5631   -0.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9904    0.2961   -1.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1194    1.6105   -0.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414    2.0395    0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4642    1.1702    0.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6647    0.7494    0.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4424    0.5717   -1.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2978    1.6236   -0.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5777   -3.3549    0.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463   -2.6484   -0.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1778   -0.7544    2.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9436   -2.0618    1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0467   -1.5834   -0.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5993   -0.0670   -2.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8093    2.2972   -1.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040    3.0689    0.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8495    1.5167    1.6403 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
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers