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
   -4.5534    0.4998    1.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2055    0.3406    0.5726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1420    0.3149    1.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4352    0.4390    2.6864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7601    0.1561    1.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2031    0.1399    1.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4259    0.0120   -0.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0111   -0.1386   -0.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5606   -1.4065   -0.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937   -1.6041   -0.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6976   -0.5041   -1.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    0.7823   -1.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455    0.9235   -0.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9903   -0.4827    1.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4758    1.1801    1.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1101    1.0322    0.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0145    0.2412    2.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2253    0.0222    1.6259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7704    0.9207   -0.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013   -0.8348   -0.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8944   -2.2554   -0.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2663   -2.6181   -0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7478   -0.6915   -1.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8634    1.6074   -1.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4388    1.9239   -0.8393 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