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
    3.6927    0.6588   -0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4105    0.1053   -0.3537 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0489   -1.1685   -0.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1365   -1.8305   -1.0979 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7997   -1.8409   -0.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3959   -1.5652   -0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1576   -0.4392    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6907    0.8012    0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    1.8412    0.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8536    1.6271    0.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    0.4079    0.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5550   -0.5928    0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0191    0.7513    0.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7128    1.6954   -0.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511    0.0101   -0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9583   -2.9380   -1.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -2.5110   -0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3388    1.0032    0.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0548    2.7870    1.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4620    2.4546    1.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4449    0.2850    0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9986   -1.5422   -0.0401 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