Monomers

Methyl 3-phenyl-3-butenoate

Identifiers

IUPAC name
methyl 3-phenylbut-3-enoate
InchI
InChI=1S/C11H12O2/c1-9(8-11(12)13-2)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InchI Key
CDFURAWOUYUFMW-UHFFFAOYSA-N
SMILES
COC(=O)CC(=C)c1ccccc1
Canonical SMILES
COC(=O)CC(=C)C1=CC=CC=C1
Isomeric SMILES
COC(=O)CC(=C)C1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.2629
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

 25 25  0  0  0  0  0  0  0  0999 V2000
   -3.9292   -0.8412    0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0695    0.2447    0.0961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8393    0.3412    0.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5355   -0.5579    1.5358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9570    1.4739    0.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0942    1.2142   -0.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0635    1.8309   -1.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1541    0.2752   -0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4395   -0.0326    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4412   -0.9466    1.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1567   -1.5532    0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8811   -1.2533   -1.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8847   -0.3449   -1.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3604   -0.8218    1.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3209   -1.7677    0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7328   -0.8350   -0.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403    1.8619    1.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5948    2.3215    0.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7398    2.5399   -1.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7879    1.7081   -2.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9075    0.4361    1.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536   -1.1796    2.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9319   -2.2633    0.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4563   -1.7413   -1.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673   -0.1092   -2.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  3
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  5 17  1  0
  5 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers