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
   -2.2936    2.1740   -0.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735    0.9720   -0.6464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0559   -0.0414    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1819    0.1971    0.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3774   -1.2990    0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9584   -2.1754    1.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0753   -1.6233   -0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0169   -0.6889    0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6987   -0.8069    1.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7169    0.0725    1.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0299    1.0416    0.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3849    1.1924   -0.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3535    0.2929   -0.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8815    2.1645   -1.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9309    2.3751    0.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5341    2.9973   -0.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4973   -3.1331    1.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9082   -1.9360    1.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2662   -2.6537    0.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1818   -1.6359   -1.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3754   -1.5980    2.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2472   -0.0230    2.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8288    1.7418    0.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6725    1.9750   -1.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8589    0.4184   -1.7016 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