Monomers

Ethyl 3-phenylprop-2-enoate

Identifiers

IUPAC name
ethyl 3-phenylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3
InchI Key
KBEBGUQPQBELIU-UHFFFAOYSA-N
SMILES
CCOC(=O)C=Cc1ccccc1
Canonical SMILES
CCOC(=O)C=CC1=CC=CC=C1
Isomeric SMILES
CCOC(=O)C=CC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.2629
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

 25 25  0  0  0  0  0  0  0  0999 V2000
    4.6930   -0.3776    0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1705    0.5206   -0.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8110    0.2843   -1.0445 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8153    0.4213   -0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445    0.7786    1.0546 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3932    0.1733   -0.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5224    0.3156    0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9361    0.0900    0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8434    0.2698    1.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1993    0.0750    1.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7100   -0.3152   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8316   -0.4987   -1.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4623   -0.2959   -0.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4555    0.0737    1.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8012   -0.3797    0.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3257   -1.4087    0.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7537    0.3140   -1.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3822    1.5613   -0.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1639   -0.1268   -1.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2056    0.6259    1.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4643    0.5741    2.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9038    0.2147    1.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7843   -0.4747   -0.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2481   -0.8059   -2.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7983   -0.4499   -1.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  6 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers