Monomers
Benzene, (1-methoxyethenyl)-
Identifiers
IUPAC name
1-methoxyethenylbenzene
InchI
InChI=1S/C9H10O/c1-8(10-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
SIZDIMDMQQFWLM-UHFFFAOYSA-N
SMILES
COC(=C)c1ccccc1
Canonical SMILES
COC(=C)C1=CC=CC=C1
Isomeric SMILES
COC(=C)C1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.3037
H Bond Acceptors
1
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
20 20 0 0 0 0 0 0 0 0999 V2000
2.6914 1.1269 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2342 -0.1130 0.2328 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1222 -0.8480 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2420 -2.1760 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1936 -0.2583 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2780 -1.0433 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5596 -0.5743 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7906 0.6622 -0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7290 1.4392 -0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4205 0.9898 -0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7329 1.4230 -1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7827 1.1627 0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2462 1.9879 0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4451 -2.8804 -0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2333 -2.6516 0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1176 -2.0519 0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3878 -1.2321 0.5194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8055 1.0058 -0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8585 2.4344 -1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4110 1.5969 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
3 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
1 11 1 0
1 12 1 0
1 13 1 0
4 14 1 0
4 15 1 0
6 16 1 0
7 17 1 0
8 18 1 0
9 19 1 0
10 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers