Monomers
Allylbenzene
Identifiers
IUPAC name
prop-2-enylbenzene
InchI
InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
InchI Key
HJWLCRVIBGQPNF-UHFFFAOYSA-N
SMILES
C=CCc1ccccc1
Canonical SMILES
C=CCC1=CC=CC=C1
Isomeric SMILES
C=CCC1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.4151
H Bond Acceptors
0
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
19 19 0 0 0 0 0 0 0 0999 V2000
-2.0417 0.9422 0.7735 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4077 -0.1886 0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3792 -1.0868 -0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0167 -0.5006 -0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5196 0.3398 -1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7930 0.8724 -1.1057 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5708 0.5789 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0132 -0.2639 0.9397 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7525 -0.8032 0.8206 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0140 1.2692 0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7847 1.5860 1.2257 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4253 -0.5370 0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6943 -1.1991 -1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4169 -2.0973 0.0698 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1052 0.5597 -2.1062 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1700 1.5329 -1.8914 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5706 0.9961 0.1098 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5773 -0.5289 1.8259 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3186 -1.4718 1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 4 1 0
1 10 1 0
1 11 1 0
2 12 1 0
3 13 1 0
3 14 1 0
5 15 1 0
6 16 1 0
7 17 1 0
8 18 1 0
9 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers