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
    4.5190    0.4307   -0.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1061    0.4072   -0.7772 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -0.3531    0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894   -0.9853    1.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0153   -0.4223    0.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4909   -1.1526    1.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2224    0.3535   -0.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2244    0.2262   -0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8574    1.1295    0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2220    1.0899    0.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9663    0.1066   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3763   -0.8085   -0.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0122   -0.7340   -1.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9576   -0.5322   -0.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8739    0.7318   -1.8328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    1.1983   -0.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1092   -1.6889    1.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5726   -1.2142    1.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011    1.4258   -0.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4830   -0.0574   -1.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2965    1.9035    0.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6666    1.8259    1.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0339    0.1177    0.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0016   -1.5539   -1.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5567   -1.4442   -1.7308 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