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
    4.2856   -0.3835   -1.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9456   -0.2805   -1.1374 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6281    0.3560    0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5612    0.8266    0.7257 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234    0.4359    0.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2570   -0.0748   -0.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1503   -0.0308    0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1031   -0.5986   -0.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4547   -0.5721   -0.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9200    0.0239    0.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9919    0.5901    1.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6237    0.5622    1.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932   -0.5467   -0.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6049    0.5719   -2.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3352   -1.2445   -2.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0278    0.9360    1.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198   -0.5752   -1.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7491   -1.0667   -1.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1924   -1.0243   -1.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9835    0.0181    0.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3140    1.0674    2.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8991    1.0095    1.8906 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