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
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
3.2497 -0.1167 0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2580 -0.8447 -0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8920 -0.3946 -0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0860 -1.2314 -0.6172 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4180 -0.8888 -0.6874 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8153 0.3458 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8584 1.1887 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4682 0.8258 0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2102 0.7370 -0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5394 1.8612 0.1571 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1382 0.8753 0.8266 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2757 -0.4909 0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5131 -1.8297 -0.4494 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2357 -2.2171 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1610 -1.5815 -1.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1966 2.1686 0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2153 1.5064 0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9609 0.0867 -0.6820 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