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
3.1501 0.6261 0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2527 -0.1995 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2145 0.2594 -0.9192 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1703 0.0203 -0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8159 0.9726 0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1016 0.7758 0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7810 -0.3955 0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1449 -1.3566 -0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8606 -1.1476 -0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9248 0.2998 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1420 1.6914 0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3012 -1.2380 0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3697 1.3401 -1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2795 -0.2766 -1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3068 1.8845 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6065 1.5245 1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7927 -0.5761 0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6731 -2.2870 -0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3811 -1.9175 -1.2718 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