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
   -4.4783   -0.8439    0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5763    0.2449    0.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1700   -0.0015    0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9101   -1.1881    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2527    1.1097    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0122    1.3182    0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    0.5849   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2502   -0.7747   -0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4968   -1.4092   -0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -0.7169   -0.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504    0.6545   -0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492    1.2935   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0197   -0.7837   -0.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9623   -1.8290    0.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2501   -0.7886    0.9178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8279    2.1457    0.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046    2.4652    0.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -1.3807   -0.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4768   -2.4770   -0.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6395   -1.2211   -0.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5825    1.2310   -0.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    2.3667    0.0398 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