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
    4.6153   -0.7679    0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645   -0.3244    0.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069   -1.1938   -0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988   -2.3674   -0.4585 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8211   -0.7759   -0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1268   -1.6513   -0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4150    0.6150    0.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0402    0.7995    0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720    0.6030    1.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1479    0.7734    1.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8112    1.1415    0.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0967    1.3400   -0.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7130    1.1677   -0.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2408    0.1548    0.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8077   -1.3413   -0.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8272   -1.3927    0.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1822   -1.3975   -0.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1449   -2.6604   -0.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8240    0.8276    1.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9410    1.2918   -0.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3141    0.3117    2.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6994    0.6121    2.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8725    1.2680    0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6245    1.6296   -1.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2066    1.3367   -1.9079 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