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
-3.0431 0.9153 0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1550 -0.0459 0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3181 -0.6112 -0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1004 -0.3653 -0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7269 0.7973 -0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0439 1.0662 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7858 0.1677 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1544 -0.9940 0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8429 -1.2633 0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1377 1.2778 -0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6631 1.3442 0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0007 -0.4619 1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 -1.7166 -0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5191 -0.1278 -1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1721 1.5429 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4779 1.9890 -0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8328 0.3697 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7651 -1.6965 1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3842 -2.1876 0.7646 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