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
   -4.4919    0.3507    0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0896    0.2495    0.3479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5142   -0.3346   -0.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2209   -0.7984   -1.6829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0645   -0.4128   -0.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2860    0.0667    0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1540    0.0178    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8680   -0.5320   -1.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2718   -0.5532   -1.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310   -0.0043    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2528    0.5551    1.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8816    0.5545    1.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9884   -0.6357    0.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8787    0.9727   -0.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7331    0.8355    1.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6496   -0.8823   -1.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7570    0.5179    0.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3399   -0.9536   -1.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7842   -0.9976   -1.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0229   -0.0098    0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7896    0.9865    1.9679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3782    1.0075    1.9404 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