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
   -4.4828    0.7643    0.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0594    0.6514    0.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -0.4688   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2606   -1.3685   -0.4831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0081   -0.6279   -0.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5473   -1.7241   -0.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1945    0.4799    0.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2425    0.3210    0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8468    0.7871   -0.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1904    0.7041   -1.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9808    0.1283   -0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4043   -0.3424    0.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0485   -0.2556    1.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7385    1.7596    0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8312    0.6345    1.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9838    0.0200   -0.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2148   -2.4917   -1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5119   -1.9377   -0.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4992    1.4214   -0.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944    0.6210    1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2447    1.2537   -1.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6749    1.0611   -2.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0493    0.0365   -0.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9925   -0.8066    1.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5834   -0.6206    2.1045 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