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
2.6244 1.2855 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1213 0.7110 -0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3908 -0.5721 -0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0059 -0.4601 0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9752 -0.1299 -0.7877 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2987 0.0009 -0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7070 -0.1971 0.8377 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7291 -0.5319 1.7758 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4036 -0.6611 1.4313 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1524 2.2154 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5068 0.8176 -2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2409 1.1828 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3871 -0.9260 -1.4058 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9147 -1.3443 0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7210 0.0426 -1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0292 0.2632 -1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7331 -0.0935 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0804 -0.6824 2.7872 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3447 -0.9206 2.1659 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