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
    4.5745    0.0996    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8024    1.0690    0.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3583    0.9696    0.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6197    1.9105    0.8711 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6920   -0.1478   -0.0196 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3087   -0.2521   -0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3416    0.1828   -1.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7237    0.1163   -1.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5008   -0.3926   -0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8529   -0.8280    0.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4683   -0.7573    0.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9864   -0.4814   -0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6395    0.1704    0.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1590   -0.8307   -0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2520    1.9596    0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238    0.5923   -2.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2452    0.4537   -2.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4476   -1.2319    1.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0326   -1.1010    1.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4049    0.3164   -1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3718   -0.3628    0.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3194   -1.4545   -0.8195 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