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
   -4.4890    0.6500    0.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1130    0.6068    0.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3437   -0.3833    0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9388   -1.1867    1.6989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002   -0.5007    0.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2674   -1.4680    1.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2937    0.4719   -0.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1400    0.2910   -0.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6283   -0.5138   -1.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9953   -0.6353   -1.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    0.0094   -0.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    0.8082    0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0261    0.9452    0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6069    1.4596    1.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8807   -0.3065    1.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0956    1.0148   -0.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7169   -2.1652    1.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8074   -1.5613    1.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4585    1.4837    0.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8335    0.5011   -1.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9574   -1.0377   -2.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3304   -1.2866   -2.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9613   -0.1184   -0.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0996    1.3290    0.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6915    1.5925    1.1530 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