Monomers

4-Methylphenyl prop-2-enoate

Identifiers

IUPAC name
(4-methylphenyl) prop-2-enoate
InchI
InChI=1S/C10H10O2/c1-3-10(11)12-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InchI Key
OJNXPAPLAAGFBJ-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
2.0864
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

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.2065    4.6652   -1.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9905    3.6227   -1.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552    2.3387   -0.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7451    2.2468   -0.4378 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    1.1802   -0.7329 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -0.0131   -0.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7043   -0.4120    0.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1684   -1.5692    1.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4836   -2.4142    0.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5672   -2.0438   -0.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0140   -0.8643   -1.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0712   -3.6907    1.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5661    5.6271   -1.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8202    4.5661   -0.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0253    3.7596   -1.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2217    0.2643    1.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2681   -1.7989    2.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0914   -2.7284   -1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0826   -0.5765   -2.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3167   -4.4866    0.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9950   -3.9839    0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2700   -3.6891    2.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 11  6  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
 12 21  1  0
 12 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers