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
2.1556 -0.0988 -0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3561 -0.5744 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2007 -0.6759 1.1772 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0549 -0.1934 0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8998 -1.0339 -0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0633 -0.5749 -0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4386 0.7502 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5981 1.5930 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 1.1320 0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9834 -0.0282 -1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1697 0.2123 -1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3266 -0.8900 0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0972 -1.7384 1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4780 -0.0906 2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5937 -2.0791 -0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7148 -1.2503 -1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3527 1.1138 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8563 2.6410 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2398 1.7856 1.1845 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