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
    4.4863    0.6573   -0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1064    0.5190   -0.2574 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5300   -0.7222   -0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3038   -1.6994    0.0430 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0691   -0.8878   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2909    0.1680   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1673    0.0859   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8541   -1.0930    0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2439   -1.1478    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9371    0.0224    0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2884    1.2211   -0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9324    1.2397   -0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8538    1.2783    0.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0478   -0.2902   -0.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510    1.2413   -1.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6760   -1.8800    0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7284    1.1395   -0.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3136   -2.0160    0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7593   -2.0885    0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0273   -0.0402    0.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9008    2.1109   -0.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4193    2.1817   -0.3476 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