Monomers

2-Propenoic acid, 3-phenyl-, methyl ester

Identifiers

IUPAC name
methyl 3-phenylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3
InchI Key
CCRCUPLGCSFEDV-UHFFFAOYSA-N
SMILES
COC(=O)C=Cc1ccccc1
Canonical SMILES
COC(=O)C=CC1=CC=CC=C1
Isomeric SMILES
COC(=O)C=CC1=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
    4.4856   -0.8463    0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0758   -0.6667    0.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5147    0.5991   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414    1.5596   -0.0921 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0721    0.8205   -0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2718   -0.2062    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1606   -0.0561   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9879   -1.1715    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3470   -1.0390    0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9697    0.1825   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    1.2761   -0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7580    1.1693   -0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9092   -0.6595    1.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168   -0.2237   -0.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764   -1.9082   -0.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7232    1.8162   -0.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6511   -1.2274    0.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5358   -2.1490    0.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0036   -1.9046    0.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0552    0.2704   -0.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5856    2.2615   -0.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1889    2.1030   -0.2492 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
  6  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
  5 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