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
-3.2208 0.2172 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1318 -0.4370 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1336 -0.9074 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1992 -0.3268 0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5779 0.8632 1.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8243 1.4170 0.9289 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7342 0.7637 0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3638 -0.4213 -0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1064 -0.9598 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4512 0.4496 1.1355 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9146 0.5385 -0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9639 -0.6359 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0444 -2.0074 0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4841 -0.6488 1.7994 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1587 1.3487 1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0575 2.3541 1.4201 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7139 1.2208 -0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0730 -0.9316 -1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8529 -1.8971 -0.7424 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