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
3.0852 -0.2322 0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1881 0.4682 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2788 -0.2291 -0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1470 -0.0625 -0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9093 0.9848 -1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2413 1.0987 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7673 0.1381 0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0290 -0.9177 0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7054 -0.9960 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1392 -1.2986 0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7422 0.2830 1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1298 1.5490 0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5139 -1.3097 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4729 0.1762 -1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4813 1.7418 -1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8737 1.9016 -1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8049 0.2042 0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4561 -1.6586 1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1348 -1.8411 0.6386 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