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
    3.0830    1.2036    0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9182    0.4206    0.5709 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8594   -0.8506    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8788   -1.2512   -0.5845 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7356   -1.7572    0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7990   -2.9521   -0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944   -1.3645    0.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1669   -0.1736    0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9838   -0.2772   -0.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6308    0.8119   -1.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4472    2.0478   -0.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6416    2.1997    0.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0115    1.0729    0.8573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9351    2.1861    0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0030    0.6893    0.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2462    1.4619   -0.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474   -3.6101   -0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6859   -3.2689   -0.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2056   -1.1721    1.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442   -2.1934    0.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1408   -1.2450   -1.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2804    0.7167   -2.2362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9548    2.9217   -1.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4960    3.1591    0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3986    1.2246    1.7214 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