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
3.2831 -0.1543 -0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3687 0.4728 0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9372 0.2507 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0125 0.9466 0.9854 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3471 0.7671 0.8614 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8558 -0.1424 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9583 -0.8462 -0.8371 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4135 -0.6442 -0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2968 -0.3261 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7422 -1.1485 -1.0233 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3437 0.0630 -0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0720 -0.8831 -1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6685 1.2050 1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3744 1.6667 1.7188 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0551 1.3268 1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3225 -1.5650 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0942 -1.2112 -1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9900 0.2224 0.4163 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