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
2.7201 0.4990 0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8569 -0.4433 0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4202 -0.2157 0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4533 -1.2650 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7931 -1.0805 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3521 0.1031 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4511 1.1158 -0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0967 0.9644 -0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4277 1.4580 -0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7819 0.2987 0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1949 -1.4146 0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0369 -2.2059 0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4808 -1.8999 0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4229 0.2102 -0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8709 2.0640 -0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5562 1.8115 -0.5570 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