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
    4.6715   -0.8319    0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4509   -0.4015   -0.0412 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2557   -0.6174    0.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3384   -1.1974    1.7591 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9817   -0.1848    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    0.4199   -1.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2459   -0.4493    0.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667    0.0228    0.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8799    1.3257    0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0181    1.7853   -0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7489    0.9855   -0.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3101   -0.2986   -1.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1707   -0.8058   -0.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5393   -0.3309    0.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6135   -0.6864    1.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062   -1.9430    0.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8099    0.6270   -1.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0237    0.7239   -1.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2933   -1.5539    1.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1186   -0.0021    1.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3265    1.9774    1.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3441    2.8127    0.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6484    1.3465   -1.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8803   -0.9155   -1.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8286   -1.8083   -0.8302 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