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
    4.8271    0.2106    0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301   -0.6244    0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690   -0.1261    0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1629    1.0795    0.2507 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4079   -1.0308    0.0294 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0837   -0.6107    0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5698   -0.2818   -1.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8855    0.1288   -1.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5516    0.2151    0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8859   -0.1144    1.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5714   -0.5293    1.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9823    0.6579    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6463    1.2644    0.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8346   -0.1541    0.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0345   -1.6787    0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0275   -0.3571   -2.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4110    0.3884   -2.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3983   -0.0519    2.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0373   -0.7932    2.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3486    1.0443   -0.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6379   -0.1463    0.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9890    1.5097    0.8872 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