Monomers
Styrene
Identifiers
IUPAC name
styrene
InchI
InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
PPBRXRYQALVLMV-UHFFFAOYSA-N
SMILES
C=Cc1ccccc1
Canonical SMILES
C=CC1=CC=CC=C1
Isomeric SMILES
C=CC1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H8
Heavy Atom Count
8
Molecular Weight
104.152
Exact Molecular Weight
104.0626
Valence Electrons
40
Radical Electrons
0
tPSA
0.0
MolLogP
2.3296
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
16 16 0 0 0 0 0 0 0 0999 V2000
2.7001 0.6197 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8495 -0.3387 0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4353 -0.1961 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4528 -1.2415 0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7992 -1.1503 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3458 -0.0228 -0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 1.0121 -0.6868 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1133 0.9257 -0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7664 0.4476 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4575 1.5791 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2038 -1.2601 0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0064 -2.1251 0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4482 -1.9963 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4033 0.0503 -0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8844 1.9226 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5279 1.7739 -0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 3 1 0
1 9 1 0
1 10 1 0
2 11 1 0
4 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers