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
   -4.5322   -0.2733   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1261   -0.2952   -0.2023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4507    0.9200    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0967    1.9847    0.1789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0027    0.9706    0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3137   -0.1218   -0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1504   -0.1723   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9278    0.9380    0.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3214    0.8690    0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9371   -0.3500    0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825   -1.4866   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8091   -1.3886   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9044   -0.2429   -1.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9272   -1.2417    0.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8854    0.5550    0.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5249    1.9294    0.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8477   -1.0510   -0.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4819    1.9048    0.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9402    1.7390    0.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0090   -0.4515    0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6663   -2.4637   -0.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1861   -2.2716   -0.3588 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