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
    3.2887    0.5278   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4029   -0.4260   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9563   -0.2448   -0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1099   -1.3473   -0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2609   -1.2082   -0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8709    0.0117    0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0515    1.1107    0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3396    0.9671    0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3197    0.1583    0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9009    1.2338    0.2988 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3364    0.2949   -0.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9575    1.5366    0.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7824   -1.4432   -0.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5683   -2.3169   -0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9058   -2.0657   -0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4784    2.1057    0.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803    1.8478    0.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9340   -0.7423    0.0035 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