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
3.1364 0.4436 0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1322 -0.4036 0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2538 -0.4498 -0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1413 -0.1744 -0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9565 -1.2295 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2606 -0.9612 0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7600 0.3120 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9543 1.3708 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6520 1.0966 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7558 0.4525 1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3462 1.1371 -0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9402 -1.0891 1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5444 0.2607 -1.4324 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2898 -1.4614 -1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6223 -2.2579 0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8976 -1.7991 0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7948 0.4381 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3476 2.3673 0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0116 1.9473 -0.5429 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