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
    4.7598   -0.8767    0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070    0.0916   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4737   -0.1561    0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0018   -1.2743    0.3722 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5350    0.8392   -0.2370 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1761    0.5826   -0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4231    0.8140    1.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7674    0.5917    1.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5616    0.1292    0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9594   -0.0973   -0.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6020    0.1272   -1.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0110   -0.1183    0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4003   -1.8578    0.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8227   -0.7468    0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.0505   -0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595    1.1802    1.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2374    0.7657    2.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988   -0.4624   -1.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1465   -0.0531   -2.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3410    0.2880    1.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6253    0.3736   -0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -1.1906    0.4317 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