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
    4.8757   -0.3737   -0.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4911   -0.5361   -0.8546 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4854   -0.0275   -0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8140    0.6057    0.9648 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605   -0.2008   -0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1491    0.3140    0.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2758    0.1974    0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853   -0.4672   -0.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1749   -0.5374   -1.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0589    0.0327   -0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5536    0.6984    0.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1895    0.7707    1.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0176   -0.0292    0.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3592   -1.3483   -0.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3537    0.3889   -1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8261   -0.7473   -1.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4534    0.8645    1.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1274   -0.9367   -1.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5407   -1.0670   -1.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1253   -0.0407   -0.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2545    1.1441    1.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8001    1.2955    1.9011 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