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
    4.6161   -1.3672   -0.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7440   -1.1721    0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4016   -0.7128   -0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0731   -0.5043   -1.2827 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4313   -0.4856    0.8717 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1513   -0.0500    0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -0.9790    0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1470   -0.5828    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4705    0.7579   -0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4850    1.6975    0.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2080    1.2737    0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8675    1.1715   -0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -1.7095   -0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3708   -1.1986   -1.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9973   -1.3426    1.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6170   -2.0326    0.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9371   -1.2963   -0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7119    2.7556    0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5413    2.0241    0.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9487    2.2651   -0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1578    0.8432   -1.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5635    0.6448    0.3585 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