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
    4.5243    0.6863   -0.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.5296   -0.3482 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4870   -0.4434    0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1711   -1.2019    1.0954 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0274   -0.6319    0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2740    0.1527   -0.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1649    0.0448   -0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9060    0.9136   -1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2752    0.8166   -1.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9120   -0.1570   -0.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2159   -1.0341    0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8359   -0.9087    0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9747   -0.0718    0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8827    0.5610   -1.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7714    1.7234   -0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6089   -1.4185    1.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7978    0.9300   -0.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3603    1.6674   -1.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8614    1.4946   -1.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.2461   -0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7540   -1.7827    0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3421   -1.6240    0.9627 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