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
   -4.5174   -0.2310   -0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8133    1.0113    0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4248    0.8184    0.1650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8326   -0.2315    0.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5532   -0.9688    1.5656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069   -0.4973    0.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3520    0.2576    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7934    0.0590   -0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5273    0.9193   -0.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8829    0.7669   -1.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5688   -0.2560   -0.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8713   -1.1237    0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979   -0.9421    0.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8294   -0.8380   -0.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9277   -0.8102    0.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3748    0.0291   -0.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1796    1.9087   -0.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0077    1.1205    1.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0017   -1.3199    1.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0789    1.0959   -0.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101    1.7287   -1.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4812    1.4275   -1.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6439   -0.3501   -0.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3834   -1.9401    0.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9359   -1.6342    1.1520 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