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
2.9697 0.3514 1.2408 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1946 0.3507 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3063 -0.7880 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1271 -0.3714 -0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6603 0.0930 -1.4055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9773 0.4903 -1.5009 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7783 0.4186 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2487 -0.0458 0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9165 -0.4488 0.9025 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0213 -0.4754 1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5881 1.2089 1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2046 1.2201 -0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4423 -1.6546 0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5643 -1.1435 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0149 0.1381 -2.2597 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3519 0.8485 -2.4497 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8177 0.7176 -0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8855 -0.0972 1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5128 -0.8127 1.8417 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