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
   -4.5326   -0.7343   -0.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1507   -0.6809   -0.4901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3976    0.4691   -0.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0114    1.4672   -1.1484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9795    0.4987   -0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2764    1.5956   -0.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2751   -0.6857    0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1666   -0.4134    0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1216   -0.6319   -0.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4635   -0.3788   -0.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9036    0.1013    0.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9715    0.3251    1.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360    0.0719    1.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1366   -0.1882   -0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8479   -1.7961   -0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7699   -0.3620   -1.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7164    2.5030   -0.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862    1.6499   -0.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.9725    1.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4381   -1.5461   -0.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7900   -1.0051   -1.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2252   -0.5482   -1.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    0.2971    0.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317    0.7038    2.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9430    0.2605    2.3989 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