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
    4.4491    1.3165    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0532    1.0306   -0.1007 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3890    0.1878    0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0693   -0.3169    1.7023 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9806   -0.1269    0.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4249   -0.9370    1.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804    0.4704   -0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2285    0.0463   -0.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1821    0.7693    0.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4806    0.3114    0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8611   -0.8218   -0.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8902   -1.5121   -1.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5672   -1.1002   -1.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851    0.5259   -0.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7301    1.4025    1.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6991    2.2984   -0.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0087   -1.3677    2.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6370   -1.1927    1.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6767    0.1717   -1.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2038    1.5805   -0.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8949    1.6533    0.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2310    0.8613    0.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8971   -1.1813   -0.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1802   -2.4159   -1.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8001   -1.6534   -1.6493 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