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
    4.9063    0.0329    0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5662    0.4823    0.3913 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4870   -0.2600   -0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7322   -1.3264   -0.6757 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1197    0.1848    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0983   -0.5249   -0.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2864   -0.1505   -0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7243    0.9789    0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0797    1.2776    0.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0278    0.4421    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6253   -0.7016   -0.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2707   -0.9772   -0.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0225   -0.9409    0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0557   -0.1899   -0.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6143    0.7809    0.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9350    1.1139    0.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3259   -1.4520   -0.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929    1.6490    0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4085    2.1724    1.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0878    0.6632    0.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3706   -1.3602   -0.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9893   -1.8946   -1.0934 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