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
    4.4305    0.6482   -0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8607   -0.5395   -0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4117   -0.6760   -0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8462   -1.8101   -0.1014 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6369    0.4744   -0.0489 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2685    0.3248   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4012    0.2234    1.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7694    0.0740    1.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5014    0.0221    0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8187    0.1242   -1.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4623    0.2731   -1.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9905   -0.1402    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5034    0.7756   -0.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8482    1.5576   -0.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4544   -1.4404   -0.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1844    0.2656    2.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2461   -0.0004    2.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3763    0.0857   -2.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0704    0.3535   -2.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4108    0.8630    0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958   -0.6541   -0.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2427   -0.8042    0.9862 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