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
2.7785 0.3042 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7863 -0.4841 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3793 -0.2362 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0132 0.8753 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3480 1.0841 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3443 0.2168 -0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9122 -0.8841 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5991 -1.1212 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6800 1.2255 -0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7912 0.0527 0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0331 -1.3745 1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7516 1.5931 -0.8616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6452 1.9623 -1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3951 0.3755 -0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6712 -1.5867 0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2718 -2.0028 1.1630 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