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
2.7279 -0.5129 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8582 0.3977 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4327 0.1972 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1265 -0.9304 0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5235 -1.0572 0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3560 -0.0520 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7979 1.0893 -0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4197 1.2008 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7995 -0.3556 0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4573 -1.4565 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2617 1.3211 -0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5042 -1.7302 0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9362 -1.9625 0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4323 -0.1426 0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4429 1.8896 -0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0065 2.1042 -0.9631 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