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
3.1213 -0.4282 0.7286 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2083 0.2857 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2247 -0.3483 -0.8138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1732 -0.1096 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8421 1.0003 -0.8753 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1476 1.2344 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8096 0.3787 0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0963 -0.7102 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8005 -0.9832 0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8423 0.0454 1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1464 -1.5050 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2014 1.3776 0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4506 -1.4350 -0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3383 0.0850 -1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3051 1.6685 -1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6677 2.1094 -0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8445 0.5675 0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 -1.3830 1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2482 -1.8500 0.8368 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