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
    3.8226    0.7159    1.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0798   -0.0239    0.0878 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7663   -0.3795    0.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2933   -0.0068    1.4545 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9808   -1.1463   -0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5522   -1.5018   -1.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4216   -1.5545   -0.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3641   -0.4434   -0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6953   -0.0633    1.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    0.9980    1.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1493    1.6793    0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8222    1.3039   -1.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9432    0.2584   -1.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6864    1.8179    0.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4838    0.4166    2.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9004    0.4505    0.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0420   -2.0730   -2.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5681   -1.2195   -1.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4221   -2.1937    0.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7842   -2.1399   -1.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3160   -0.5337    2.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8455    1.2940    2.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8379    2.4976    0.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2805    1.8592   -1.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7064   -0.0121   -2.2443 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