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
   -3.7920    0.3940    1.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0154    0.5522    0.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8354   -0.1584   -0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5126   -0.9176    0.9181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0416    0.0048   -1.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4753    0.8303   -2.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2328   -0.7149   -1.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2769   -0.4477   -0.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0824    0.6705   -0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0921    0.9652    0.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3080    0.1259    1.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5157   -0.9920    1.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -1.2852    0.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3519    1.1018    2.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8241    0.7340    1.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7549   -0.6446    1.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9133    0.9885   -3.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    1.3752   -2.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5955   -0.5068   -2.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0429   -1.8116   -1.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9381    1.3431   -1.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221    1.8438    0.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1031    0.3776    2.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6871   -1.6471    2.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8905   -2.1812    0.7582 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