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
3.1289 -0.9707 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3854 0.0486 -0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9456 0.1003 -0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2458 1.2349 -0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1216 1.3181 -0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8308 0.2689 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1101 -0.8335 0.4164 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2659 -0.9468 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2769 0.3374 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9626 -0.5730 0.6693 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2206 -0.9555 -0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7513 -1.8693 0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9032 0.8974 -0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7966 2.0694 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6984 2.1755 -0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6336 -1.6733 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7676 -1.8515 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7769 1.2230 -0.1869 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