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
   -4.5537    0.0897    0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8014   -0.3020   -0.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3916   -0.1628   -0.7265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7455   -0.8871    0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4600   -1.6381    0.9677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2916   -0.7597    0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3728    0.0586   -0.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7822    0.2365   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4849   -0.4385    0.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8668   -0.2747    0.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5241    0.5793    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8252    1.2672   -0.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4518    1.0963   -0.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9175    0.6863    0.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9532   -0.8156    0.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4257    0.7085    0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9774   -1.3792   -1.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0991    0.2776   -1.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.3578    1.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1426    0.6300   -1.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0498   -1.1441    1.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4198   -0.8078    1.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6032    0.7262    0.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    1.9462   -1.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9309    1.6651   -1.7855 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