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
2.8379 -0.6041 1.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3757 -0.3327 0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9797 -0.1244 0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5443 0.1647 -1.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7819 0.3710 -1.5283 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7453 0.3006 -0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3192 0.0170 0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0334 -0.1953 1.0392 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1592 0.5204 -0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5131 0.7772 -2.0371 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1940 -0.6871 2.3677 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8948 -0.7565 1.6872 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1294 -0.2720 -0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3162 0.2167 -1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1050 0.5973 -2.5556 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0524 -0.0442 1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2844 -0.4154 2.0781 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9136 0.4669 -0.1029 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