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
    4.4113    0.3284   -0.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8702    0.6507    0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4458    0.5050    0.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9151    0.8092    1.5466 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6152    0.0224   -0.5482 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2659   -0.0986   -0.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2571   -1.2594    0.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292   -1.3641    0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4713   -0.2923    0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9521    0.8672   -0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5961    0.9409   -0.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9397   -0.3879    0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708    0.4271   -1.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8233   -0.0565   -1.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4866    1.0271    1.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617   -2.1221    0.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0691   -2.2642    0.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6165    1.7053   -0.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1874    1.8382   -0.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5283   -0.1840   -0.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2609    0.3305    1.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583   -1.4226    0.8103 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