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
    2.3190    1.1778   -2.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448    0.3078   -1.3652 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0498   -0.3308   -0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621   -0.0594    0.0226 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922   -1.2465    0.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9419   -1.7616    1.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0990   -1.6132    0.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0772   -0.5111    0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6286   -0.0043    1.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5407    1.0198    1.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9435    1.5778    0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4046    1.0856   -0.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4737    0.0420   -0.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7179    1.8825   -2.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0093    0.6298   -2.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0029    1.7592   -1.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4376   -2.4386    2.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9810   -1.5393    1.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403   -2.3480    1.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2254   -2.1703   -0.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3094   -0.4467    2.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9769    1.4196    2.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6682    2.3910    0.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7012    1.5049   -1.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0697   -0.3281   -1.7663 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