Monomers

Methyl 2-phenylacrylate

Identifiers

IUPAC name
methyl 2-phenylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
GQTXKEVAUZYHGE-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)c1ccccc1
Canonical SMILES
COC(=O)C(=C)C1=CC=CC=C1
Isomeric SMILES
COC(=O)C(=C)C1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
1.8728
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

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.4042    1.1095    0.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1094    0.6235    0.3226 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7788   -0.6090   -0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7727   -1.3749   -0.4165 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4433   -1.1449   -0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3306   -2.3919   -0.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7463   -0.3622   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9559   -0.9838    0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0658   -0.2224    0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0164    1.1509    0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8251    1.7746    0.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6878    1.0124   -0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    1.9784    1.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9027    1.4302   -0.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750    0.3924    1.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6362   -2.8042   -1.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1957   -2.9966   -1.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9669   -2.0658    0.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0011   -0.7183    0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8713    1.7752    0.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7533    2.8507    0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2014    1.5760   -0.3309 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  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers