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
3.1671 0.2453 0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0960 -0.5570 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1988 -0.6108 -0.8125 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1781 -0.2249 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0983 -1.1481 0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3670 -0.7911 0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7512 0.5435 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8301 1.4544 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5569 1.0981 -0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4506 0.9063 -0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8064 0.2646 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8837 -1.1816 1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5527 0.1669 -1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2229 -1.5642 -1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8032 -2.1994 0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0795 -1.5337 0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7519 0.7882 0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1257 2.4965 -0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1637 1.8471 -0.7845 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