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
   -4.8577   -0.0309    0.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5355    0.2213    0.7506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4640   -0.1992   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207   -0.7993   -1.0852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721    0.0658    0.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0532   -0.3304   -0.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3081   -0.0761    0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3241   -0.5317   -0.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444   -0.3381   -0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9674    0.3186    0.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9628    0.7685    1.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6157    0.5854    1.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0420   -1.1292    0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5277    0.4486    1.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0713    0.3607   -0.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8895    0.5819    1.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034   -0.8608   -1.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0994   -1.0625   -1.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4111   -0.7122   -1.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0030    0.4674    1.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405    1.2909    2.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8606    0.9611    1.9740 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