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
   -3.7080    1.3878   -0.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0046    0.4257    0.1293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7658   -0.0619   -0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1911    0.3389   -1.2302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1298   -1.0488    0.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -1.4627    1.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075   -1.6258    0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2965   -0.6542    0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7185   -0.1939   -0.9359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7454    0.7376   -1.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.2220    0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9434    0.7603    1.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241   -0.1646    1.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6346    1.6458   -0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1364    2.3198   -0.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0132    1.0068   -1.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7203   -1.0611    1.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066   -2.1959    2.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -2.4175    1.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1120   -2.1438   -0.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2963   -0.5203   -1.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    1.1017   -2.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1735    1.9545   -0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4405    1.1484    2.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6249   -0.4989    2.4006 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