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
    4.4311    0.7781    0.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9440   -0.2755   -0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284   -0.2987   -0.3129 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7670    0.8150   -0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3427    1.8734   -0.9613 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2982    0.8175   -0.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3381   -0.2696   -0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7872   -0.3434   -0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5969    0.7236   -0.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9924    0.5790   -0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5006   -0.6297    0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7092   -1.7202    0.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3474   -1.5690    0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5520    1.7266    0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3648    0.4041    1.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    0.9089    1.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3184   -1.2878   -0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2496   -0.0658   -1.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2543    1.7036   -0.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2714   -1.1490    0.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1970    1.6680   -0.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6231    1.4324   -0.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5767   -0.7506    0.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1460   -2.6641    0.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6840   -2.4068    0.5048 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