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
   -3.3058    0.3704    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3722   -0.5518   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9487   -0.2682   -0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4047    0.9788   -0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9789    1.1830   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8373    0.1300   -0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3236   -1.1428   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0421   -1.3283   -0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2896    0.3197   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0814   -0.6545   -0.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3522    0.1309    0.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0113    1.3990    0.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6978   -1.6010   -0.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0437    1.8433    0.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3569    2.1975   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0168   -1.9737   -0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4131   -2.3558   -0.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7072    1.3235   -0.1093 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