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
-3.0524 0.3414 -0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1516 -0.3322 -0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2654 0.3309 0.8737 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1381 0.0930 0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8515 -1.0049 0.8833 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1545 -1.2204 0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7537 -0.3128 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0491 0.7768 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7477 0.9889 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6739 -0.1949 -1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1161 1.4197 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0388 -1.4086 -0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4190 -0.0416 1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4597 1.4212 0.8056 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3522 -1.7176 1.5627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6889 -2.0900 0.8423 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7758 -0.4275 -0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4704 1.5248 -1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1950 1.8540 -0.7409 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