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
   -2.3522   -2.0044    1.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2015   -1.0161    0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9216   -0.3753    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8098    0.6789   -0.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3799    1.3259   -1.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333    0.9707   -0.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4112   -0.0752    0.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2252   -0.7406    0.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8056    1.6588   -0.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562    2.5992   -1.4007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5545   -2.3894    1.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3300   -2.4720    1.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0626   -0.6794   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7283    0.9731   -1.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4324    2.1448   -1.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3308   -0.3598    1.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2118   -1.5627    1.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6743    1.3235   -0.0595 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