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
    4.8447   -0.4817    0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4829   -0.8326    0.4376 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4889    0.0056   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7957    1.1080   -0.5275 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0634   -0.3164    0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1432    0.4948   -0.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2775    0.3018   -0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8081   -0.8491    0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1981   -1.0219    0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0495   -0.0630   -0.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5210    1.1080   -0.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1570    1.2405   -0.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3536   -0.6287    1.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3734   -1.0655   -0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    0.6048    0.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7972   -1.2741    0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4923    1.4457   -0.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1726   -1.6165    0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5789   -1.9422    0.6317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1212   -0.1989   -0.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2010    1.8312   -1.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7342    2.1502   -1.2450 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