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
-2.7416 -0.5708 -0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8550 0.2990 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4274 0.2033 0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1148 -0.8731 -0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5030 -0.9678 -0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3633 -0.0068 -0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8103 1.0801 0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4439 1.1731 0.6334 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7949 -0.3888 0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5112 -1.4630 -0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2059 1.1915 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 -1.6433 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8956 -1.8399 -1.2091 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4414 -0.0785 -0.3312 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4639 1.8585 0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0344 2.0265 1.1552 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