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
3.0886 -0.3345 0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2104 0.3698 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3152 -0.3026 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1334 -0.0873 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8519 0.9810 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1829 1.1664 -0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7900 0.2612 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1016 -0.8242 0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7861 -0.9631 0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1587 -1.4129 0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7593 0.1439 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1778 1.4393 0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4517 -1.3761 -0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4604 0.1157 -1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 1.6813 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7259 2.0305 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8322 0.4255 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6182 -1.5083 1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2380 -1.8057 0.7223 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