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
-2.3522 -2.0044 1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2015 -1.0161 0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9216 -0.3753 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8098 0.6789 -0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3799 1.3259 -1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5333 0.9707 -0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4112 -0.0752 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2252 -0.7406 0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8056 1.6588 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9562 2.5992 -1.4007 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5545 -2.3894 1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3300 -2.4720 1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0626 -0.6794 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7283 0.9731 -1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4324 2.1448 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3308 -0.3598 1.0199 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2118 -1.5627 1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6743 1.3235 -0.0595 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