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
   -4.2383   -0.7581    1.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3155   -1.6991    1.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9501   -1.4468    1.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0363   -2.3116    1.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6213   -0.2227    0.5641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3416    0.1257    0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0511   -0.0741   -1.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241    0.2683   -1.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2521    0.8253   -0.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    1.0285    0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5903    0.6831    0.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6014    1.1778   -1.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0242    0.2318    0.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2644   -0.9181    1.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5974   -2.6615    1.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842   -0.5178   -1.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5939    0.0968   -2.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5985    1.4687    1.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2979    0.8445    2.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5914    1.3164   -2.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9451    2.1610   -0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3609    0.3817   -1.0220 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