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
    3.8145    1.3919    0.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0680    0.2986   -0.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8134   -0.0457    0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3136    0.6467    1.2219 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0560   -1.1749   -0.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6041   -1.8883   -1.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2792   -1.5606    0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292   -0.5645    0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6700    0.2329    1.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6694    1.1945    1.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3234    1.3446   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9679    0.5320   -1.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9792   -0.4156   -1.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4780    1.0859    1.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1647    2.2073    0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4772    1.7230   -0.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0896   -2.7270   -1.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840   -1.6407   -1.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1671   -1.8804    1.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5626   -2.5174   -0.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2038    0.1751    2.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9551    1.8395    1.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1142    2.1013   -0.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5059    0.6795   -2.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7362   -1.0378   -1.9859 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