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
    4.6744   -0.0110   -0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8013   -1.2001    0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237   -0.8894    0.0206 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242    0.0204    0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380    0.6220    1.6847 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3934    0.3326    0.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4381   -0.2268   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8509    0.0707   -0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4588    0.9832    0.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8289    1.2465    0.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5863    0.5708   -0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0209   -0.3497   -1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6857   -0.5808   -0.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711   -0.1048    0.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2137    0.9512   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0744   -0.0106   -1.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0931   -1.7273    0.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9731   -1.9380   -0.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0235    1.0682    1.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0357   -0.9642   -0.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8923    1.5315    1.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2711    1.9838    1.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6551    0.7890   -0.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6568   -0.8675   -1.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2235   -1.2998   -1.6336 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