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
    3.6059    0.7884    0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3246    0.4288   -0.1296 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555    0.1259   -1.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0051    0.2250   -2.2186 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7158   -0.2600   -1.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4604   -0.4370   -1.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1465   -0.3322   -0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4349   -0.9296   -0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1706   -0.8175    0.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7091   -0.1279    2.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4721    0.4519    1.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6895    0.3576    0.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    1.4044   -0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6088    1.4245    1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2123   -0.1312    0.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8254   -0.4663   -3.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1878   -0.7544   -2.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8371   -1.4920   -1.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655   -1.2873    1.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3146   -0.0581    2.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0610    1.0149    2.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2459    0.8720    0.7623 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