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
-3.2539 0.2380 -0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3594 -0.2308 0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9427 -0.1299 0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0134 -0.6407 1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3438 -0.5635 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8537 0.0228 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9410 0.5329 -1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4159 0.4522 -0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2873 0.1133 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0894 -0.3519 0.4245 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3173 0.1517 -0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0341 0.7293 -1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6852 -0.6995 1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4284 -1.1009 2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0286 -0.9758 1.7269 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3183 1.0074 -1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0560 0.8661 -1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6441 0.5794 -1.3118 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