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
2.8128 -0.0477 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7490 -0.8081 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3814 -0.3182 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6967 -1.1978 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0034 -0.7673 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3163 0.5618 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2678 1.4410 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0538 1.0033 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8255 -0.4453 -0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7416 1.0062 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9164 -1.8787 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4336 -2.2367 0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8308 -1.4589 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3490 0.9174 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4513 2.5066 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8685 1.7225 -0.2669 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