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
   -3.0190    0.9494   -0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4118    0.3195    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9779    0.0926    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3531   -0.5863    1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9854   -0.8212    1.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7910   -0.3915    0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    0.2751   -0.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1553    0.4968   -0.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -0.6557    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9182   -0.2609   -0.8449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4653    1.3079   -1.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1108    1.1134   -0.8325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9818   -0.0521    0.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9952   -0.9026    1.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297   -1.3547    1.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.6255   -1.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5622    1.0243   -1.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456   -1.1794    0.9472 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