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
-3.1056 -0.4027 0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4329 0.0122 -0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9817 0.0276 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3296 0.4902 -1.2448 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0409 0.5288 -1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8256 0.1083 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 -0.3485 0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1780 -0.3749 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2593 0.1583 -0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9593 -0.2184 0.6457 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6023 -0.7461 1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1828 -0.4089 0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9797 0.3504 -0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9401 0.8137 -2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5014 0.8968 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8271 -0.6679 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6286 -0.7373 1.8452 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7410 0.5183 -1.2181 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