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
3.0387 -0.2653 0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2195 0.3600 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3112 -0.4403 -0.6983 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1184 -0.1178 -0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7700 -0.8431 0.5467 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0928 -0.6317 0.8744 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7993 0.3350 0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1628 1.0698 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8243 0.8406 -1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0671 -1.3359 1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7020 0.3251 1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1951 1.4345 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4976 -0.1575 -1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5072 -1.5253 -0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2352 -1.6130 1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6065 -1.1960 1.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8372 0.5250 0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7548 1.8194 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3369 1.4164 -1.8706 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