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
    3.5745    0.6156    1.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9528    0.2206    0.5842 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069   -0.3709    0.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716   -0.5779    1.5603 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1606   -0.7384   -0.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706   -0.5011   -1.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1771   -1.3802   -0.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2616   -0.5167   -0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7401    0.4953   -1.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7491    1.3364   -0.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2977    1.1624    0.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8659    0.1772    1.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8452   -0.6426    0.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    1.6240    1.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3256   -0.1062    2.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8108    0.7118    2.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4584   -0.7763   -2.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8435   -0.0350   -1.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251   -2.3452   -0.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4081   -1.5844   -1.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184    0.6347   -2.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0868    2.1123   -1.5105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0950    1.8514    0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3091    0.0541    2.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5049   -1.4209    1.4902 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