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
   -3.1056   -0.4027    0.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4329    0.0122   -0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9817    0.0276   -0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296    0.4902   -1.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0409    0.5288   -1.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8256    0.1083   -0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2067   -0.3485    0.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1780   -0.3749    0.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2593    0.1583   -0.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9593   -0.2184    0.6457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6023   -0.7461    1.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1828   -0.4089    0.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9797    0.3504   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9401    0.8137   -2.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5014    0.8968   -2.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8271   -0.6679    1.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6286   -0.7373    1.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7410    0.5183   -1.2181 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