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
    4.2938    0.3756   -0.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4659    0.6260    0.3394 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0492    0.3187    0.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7727   -0.1600   -0.8239 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2293    0.5810    1.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046    0.4706    1.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1311    0.0083    0.9232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2993   -0.3888    1.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4573   -0.7731    1.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5572   -0.7970   -0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517   -0.4197   -1.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2568   -0.0218   -0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131    1.2729   -1.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3218    0.1504   -0.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9469   -0.4368   -1.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8293    1.0108    2.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2936    0.8184    2.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2182   -0.3755    2.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3276   -1.0692    1.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4401   -1.0905   -0.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4472   -0.4104   -2.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4466    0.3100   -1.0447 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