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
   -3.0935    1.0208   -0.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257    0.4293   -0.1654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8143   -0.9351   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6199   -1.5756   -0.9867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -1.6786    0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6849   -2.9757    0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1937   -0.9961    1.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0079    0.0403    0.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1182   -0.3603   -0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    0.5350   -0.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6790    1.8876   -0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5835    2.2891   -0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7489    1.3844    0.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7466    1.6381   -0.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7621    0.2744   -1.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7110    1.7533   -1.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3994   -3.4712   -0.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0689   -3.5908    0.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3063   -0.4753    2.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9148   -1.6888    1.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3496   -1.4253   -0.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8017    0.2160   -1.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2893    2.6304   -1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3447    3.3453    0.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0989    1.7286    1.2279 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