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
    4.4023    0.4527    0.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0102    0.3130    0.6255 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5106    0.1882   -0.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3273    0.2049   -1.6303 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    0.0437   -0.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2633    0.0337    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1805   -0.1045    0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9228   -0.1000    1.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2877   -0.2301    1.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9335   -0.3637   -0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1942   -0.3662   -1.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8104   -0.2362   -1.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6486    1.4796    1.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9972    0.2560   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7624   -0.2672    1.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7450   -0.0474   -1.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7233    0.1350    1.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3968    0.0052    2.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8763   -0.2289    2.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9990   -0.4657   -0.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6415   -0.4661   -2.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2101   -0.2360   -2.0604 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