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
2.9938 1.1290 -0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0616 0.3813 -0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3540 -0.6260 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1116 -0.4111 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9100 -0.9943 -0.9551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2781 -0.7935 -0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7969 -0.0188 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9797 0.5573 1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6180 0.3621 1.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2757 1.0386 0.7814 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5493 1.8973 -0.8194 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8360 0.5279 -1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7695 -0.6932 0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5287 -1.6248 -0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5092 -1.5984 -1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9685 -1.2122 -1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8715 0.1315 0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3896 1.1544 1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0646 0.7929 1.7717 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