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
3.1072 0.8048 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2179 -0.0846 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 -0.6607 0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1452 -0.3947 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6976 0.7641 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0251 1.0830 0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8199 0.2744 -0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2440 -0.8750 -0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9170 -1.2088 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1888 1.1483 1.0175 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8117 1.2306 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1749 -0.3947 -1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4046 -1.7741 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4672 -0.2812 1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1456 1.4561 1.3506 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4716 1.9813 0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8454 0.5644 -0.5288 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8509 -1.5249 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4821 -2.1081 -0.9710 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