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
    2.5454    2.1914   -0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6886    1.1457   -0.4268 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0452   -0.1906   -0.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2116   -0.4214    0.0794 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1701   -1.2858   -0.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6255   -2.5154   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2004   -1.0770   -1.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -0.3957   -0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3637    0.9561   -0.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2301    1.5636    0.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8564    0.8210    1.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5952   -0.5323    1.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7433   -1.1433    0.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2530    1.7837    0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1389    2.5169   -0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9956    3.0299    0.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0058   -3.3379   -0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6183   -2.7027   -0.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1117   -0.5033   -2.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5995   -2.0717   -1.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9041    1.5714   -1.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4311    2.6317    0.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5286    1.3043    2.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0832   -1.1377    2.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5429   -2.2006    0.6882 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