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
    4.8822    0.1337    0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5267    0.5701    0.3092 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4696   -0.2599    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7053   -1.4468   -0.3025 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0980    0.2044    0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1218   -0.6200   -0.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2824   -0.2461   -0.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2728   -1.1816   -0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5996   -0.8099   -0.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0107    0.4622   -0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0459    1.3759    0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7100    1.0212    0.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9270   -0.9797    0.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2498    0.3990   -0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4717    0.5943    1.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9189    1.2327    0.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3553   -1.6533   -0.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9805   -2.1967   -0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3795   -1.5373   -0.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0638    0.7456   -0.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3688    2.3890    0.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0122    1.8031    0.4173 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