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
    2.4761   -0.4648    2.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7351   -0.4382    0.8343 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0813    0.4165   -0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    1.1929   -0.0592 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2776    0.3932   -1.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    1.2339   -2.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1185   -0.5071   -1.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9609   -0.3331   -0.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034    0.6932   -0.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9328    0.8715    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0808    0.0210    1.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1638   -0.9968    1.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1319   -1.1813    0.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -1.5102    2.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9535    0.2060    2.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5391   -0.1587    1.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0457    1.2141   -3.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4932    1.8777   -2.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5174   -1.5548   -1.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2088   -0.4728   -2.6231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7767    1.3559   -1.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6201    1.6826   -0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8921    0.1445    1.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2603   -1.6749    2.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4580   -2.0102    0.6738 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