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
    4.7575    0.4043   -0.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8231    0.5083    0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282    0.2563    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694   -0.0659   -1.0299 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4041    0.3586    1.0769 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0854    0.1133    0.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379   -1.1514    0.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7564   -1.3265    0.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5145   -0.2624   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9907    1.0104   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6779    1.1839    0.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9451   -0.5081   -0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5096    0.1324   -1.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792    0.5908   -0.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0953    0.7821    1.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690   -1.9726    1.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2326   -2.2941    0.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5642    1.8571   -0.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1995    2.1721    0.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2623    0.2797   -1.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5612   -0.5442    0.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9783   -1.5241   -0.8387 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