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
    3.9226    0.8775    0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0803   -0.2476    0.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291   -0.0836   -0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4858    1.0867   -0.5968 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367   -1.1717   -0.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3046   -2.4014   -0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3824   -0.9592   -1.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3183   -0.1330   -0.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5368    1.2132   -0.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4359    1.9301    0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1607    1.3037    1.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9592   -0.0429    1.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0664   -0.7310    0.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4148    1.2450   -0.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7126    0.5358    1.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3516    1.6734    1.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745   -2.5620    0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717   -3.2685   -0.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9148   -1.9405   -1.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2317   -0.5702   -2.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0077    1.7405   -1.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6219    2.9815   -0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8761    1.8486    1.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5311   -0.5334    2.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9415   -1.7912    0.7222 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