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
-3.2758 0.3401 -0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3456 -0.5780 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9260 -0.3184 -0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4275 0.9252 -0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9519 1.1511 -0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8479 0.1276 -0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3386 -1.1350 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0331 -1.3486 0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3003 0.3479 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7433 1.5062 -0.3423 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3223 0.0922 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0085 1.3523 -0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7101 -1.6070 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0454 1.7904 -0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3468 2.1386 -0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9703 -1.9934 0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4089 -2.3416 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0043 -0.4497 0.0033 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