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
    3.7608    0.8402    1.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9372   -0.2577    0.8691 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8113   -0.1096    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6240    1.0678   -0.3593 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807   -1.2470   -0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2666   -2.4467    0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -1.0895   -1.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2256   -0.1680   -0.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1360   -0.6558    0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1137    0.1502    0.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2446    1.4790    0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3335    1.9556   -0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3389    1.1520   -1.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5895    0.4244    1.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1867    1.3273    0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2165    1.6083    1.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1287   -2.5548    0.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6868   -3.3278   -0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7133   -2.0789   -1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1222   -0.7967   -2.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0881   -1.6856    0.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8169   -0.2554    1.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0418    2.0830    0.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4187    3.0068   -0.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449    1.5788   -1.7643 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