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
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
-3.2552 0.2664 -0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3242 -0.6595 -0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9306 -0.3306 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0330 -1.3506 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3644 -1.0931 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8274 0.1896 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9018 1.2070 0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4449 0.9424 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2561 0.4545 0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1073 -0.4647 0.5473 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0929 1.3314 -0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3046 -0.0081 -0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5933 -1.6792 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3134 -2.3673 -0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1160 -1.8768 0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2201 2.2129 0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1732 1.7631 0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6063 1.4628 0.6769 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