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
    4.5503    0.0147   -0.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1321    0.0048   -0.3879 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    0.0873    0.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2251    0.1723    1.8567 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0355    0.0775    0.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2668   -0.0110   -0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1725   -0.0230    0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8096    0.0575    1.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2093    0.0470    1.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9407   -0.0475    0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3404   -0.1304   -1.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9766   -0.1183   -1.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0051    0.9047   -0.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7591   -0.0222   -1.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9919   -0.8850   -0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6333    0.1450    1.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615   -0.0777   -1.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2824    0.1349    2.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6918    0.1116    2.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0310   -0.0545    0.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9482   -0.2063   -1.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4523   -0.1816   -2.0723 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