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
   -3.2847    0.5928   -0.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1201    0.0769    0.0171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6369    0.3968    1.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3544    1.2366    1.9061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4158   -0.1615    1.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1084    0.2733    3.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4289   -1.1292    1.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9906   -0.6655   -0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4540   -0.9010   -1.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0817   -0.3997   -2.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2418    0.3401   -2.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7824    0.5780   -1.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682    0.0858   -0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9538    1.3558   -1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8213   -0.1851   -1.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9894    1.0383    0.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7142    0.9818    3.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7942   -0.1156    3.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -2.1295    1.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3006   -1.3714    1.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4515   -1.4806   -1.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6301   -0.6036   -3.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7476    0.7392   -3.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6978    1.1557   -1.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6202    0.2914    0.8720 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