Monomers

4-Vinylbenzaldehyde

Identifiers

IUPAC name
4-ethenylbenzaldehyde
InchI
InChI=1S/C9H8O/c1-2-8-3-5-9(7-10)6-4-8/h2-7H,1H2
InchI Key
QBFNGLBSVFKILI-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C=O
Canonical SMILES
C=CC1=CC=C(C=C1)C=O
Isomeric SMILES
C=CC1=CC=C(C=C1)C=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H8O
Heavy Atom Count
10
Molecular Weight
132.162
Exact Molecular Weight
132.0575
Valence Electrons
50
Radical Electrons
0
tPSA
17.07
MolLogP
2.1421
H Bond Acceptors
1
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

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.1098    0.9147    0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3920   -0.1671    0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9512   -0.1297    0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2252    1.0288    0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1561    0.9953   -0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8248   -0.2041   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0675   -1.3504   -0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2912   -1.3599    0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2710   -0.2458   -0.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9215    0.8084   -0.4517 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6554    1.8804    0.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1781    0.8723    0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136   -1.1234    0.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7039    1.9917    0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7188    1.9170   -0.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5784   -2.3173   -0.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8632   -2.2954    0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7455   -1.2155   -0.4266 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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  5 15  1  0
  7 16  1  0
  8 17  1  0
  9 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers