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
   -4.6774    0.8897    0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8799   -0.3468    0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4909   -0.1166    0.1226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6726   -1.2314   -0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1926   -2.3638   -0.2593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2273   -1.1278   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    0.0166   -0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240    0.1462   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    1.4000    0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    1.5448   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5561    0.4588   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.8008   -0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6329   -0.9392   -0.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2926    1.5072    1.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7454    1.4786   -0.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7094    0.5781    0.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0931   -1.0815    0.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1727   -0.7422   -0.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3395   -2.0083   -0.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2114    0.9113    0.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7457    2.2793    0.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1604    2.5494    0.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6320    0.5897   -0.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6656   -1.6418   -0.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2807   -1.9495   -0.4741 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