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
    4.5447    0.3194    0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1413    0.3451    0.3356 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300   -0.5250   -0.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1414   -1.3333   -1.1623 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9823   -0.5132   -0.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3833   -1.3567   -1.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498    0.4826    0.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2073    0.4047    0.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9610   -0.4339    0.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3385   -0.5372    0.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9697    0.2051   -0.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2560    1.0515   -1.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8941    1.1297   -0.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9390    0.4846    1.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9738   -0.6485    0.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9227    1.1664   -0.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7093   -1.3564   -1.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362   -2.0625   -1.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5354    0.3242    1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6062    1.4873   -0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4224   -0.9967    1.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9034   -1.1940    1.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0611    0.1202   -0.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7227    1.6494   -1.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3404    1.7873   -1.5099 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