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
    4.3575    1.0594    0.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9660   -0.0049   -0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5643   -0.3233   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2838   -1.3566   -0.9177 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5761    0.4799    0.2235 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2196    0.2446    0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4949   -0.5024    0.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8509   -0.7535    0.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5115   -0.2377   -0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8100    0.5183   -1.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4413    0.7613   -1.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9673   -0.5165   -0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3974    1.2758    0.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6037    1.7144    1.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7515   -0.6603   -0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018   -0.9144    1.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828   -1.3444    1.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3571    0.9127   -2.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0995    1.3507   -1.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3725   -0.0942   -1.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4617   -0.0091    0.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -1.5999   -0.2832 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