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
    4.8132   -0.0790   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4681    0.0479   -0.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3916   -0.1767    0.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706   -0.5132    1.6030 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0081   -0.0339   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7701    0.3254   -1.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759   -0.2911    0.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4189   -0.1104    0.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1018   -1.1468   -0.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3593   -0.9632   -0.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9909    0.2625   -0.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3045    1.2929   -0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0432    1.1182    0.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1310   -1.1350    0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4414    0.3566   -0.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0651    0.4414    0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2637    0.4320   -1.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5781    0.5066   -1.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0037   -1.3532    1.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    0.3333    1.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5992   -2.1268   -0.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8587   -1.8228   -1.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9866    0.3926   -1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7953    2.2650   -0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389    1.9778    0.8973 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