Monomers

Phenyl acrylate

Identifiers

IUPAC name
phenyl prop-2-enoate
InchI
InChI=1S/C9H8O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
WRAQQYDMVSCOTE-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccccc1
Canonical SMILES
C=CC(=O)OC1=CC=CC=C1
Isomeric SMILES
C=CC(=O)OC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H8O2
Heavy Atom Count
11
Molecular Weight
148.161
Exact Molecular Weight
148.0524
Valence Electrons
56
Radical Electrons
0
tPSA
26.3
MolLogP
1.778
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

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.7360    0.5054    0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1952   -0.1891   -0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7280   -0.3505   -0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1433   -1.0061   -1.3486 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9313    0.2166    0.5377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4670    0.0620    0.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -0.9808    1.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4689   -1.0362    1.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1756   -0.0716    0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5437    0.9839   -0.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1730    1.0315   -0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1539    0.9535    1.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8261    0.6098    0.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7499   -0.6583   -1.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5068   -1.7121    1.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9905   -1.8582    1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2545   -0.0937    0.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1130    1.7358   -0.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776    1.8580   -0.6626 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
 11  6  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers