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
    4.5401    0.4535   -1.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7421   -0.4700   -1.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.0983   -0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9717    1.0835   -0.8657 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4717   -1.0100   -0.2117 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1818   -0.6342    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1627   -0.1788    1.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4607    0.1811    1.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4726    0.1118    0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1432   -0.3387   -0.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8382   -0.7001   -0.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8707    0.4901    1.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2009    1.4941   -1.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5590    0.2770   -1.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1268   -1.4669   -1.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464   -0.1269    2.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7036    0.5309    2.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9014   -0.4103   -1.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5968   -1.0502   -1.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3690   -0.3427    1.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8911    1.3573    1.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4096    0.8478    0.1649 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