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
    2.8992   -1.8194    1.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6094   -1.0918    0.6804 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146   -0.1102    0.5986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9695    0.0945    1.6479 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3838    0.6068   -0.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289    0.3054   -1.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3493    1.6505   -0.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9791    1.0267   -0.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5684    1.2058    0.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7992    0.6335    1.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4393   -0.1326    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8370   -0.3063   -1.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6261    0.2514   -1.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1948   -1.4736    2.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9202   -1.6835    2.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7211   -2.9063    1.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8843   -0.4464   -1.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9730    0.8159   -2.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5396    2.4986   -0.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3180    2.0199   -1.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050    1.8173    1.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2431    0.7907    1.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4035   -0.5871    0.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3528   -0.9165   -1.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1521    0.1218   -2.4088 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