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
   -4.8401    0.2995    0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8952   -0.5183   -0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5226   -0.1151   -0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1539    1.0036    0.4305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4385   -0.8849   -0.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1299   -0.5250   -0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6030    0.1280   -1.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9304    0.4669   -1.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5850    0.1452    0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8782   -0.5160    1.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370   -0.8472    0.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0223    0.5122    0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6155    1.2814    0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9009    0.0627    0.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1598   -1.4709   -0.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0975    0.3848   -2.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4755    0.9913   -1.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245   -0.7541    1.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0102   -1.3656    1.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6148   -0.4052    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2419    0.7829    1.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2359    1.3439   -0.4736 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