Monomers
1-Methoxy-3-vinylbenzene
Identifiers
IUPAC name
1-ethenyl-3-methoxybenzene
InchI
InChI=1S/C9H10O/c1-3-8-5-4-6-9(7-8)10-2/h3-7H,1H2,2H3
InchI Key
PECUPOXPPBBFLU-UHFFFAOYSA-N
SMILES
COc1cccc(c1)C=C
Canonical SMILES
COC1=CC=CC(=C1)C=C
Isomeric SMILES
COC1=CC=CC(=C1)C=C
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
2.3382
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
-2.7361 -1.1841 0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4670 0.1762 0.4554 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1966 0.6284 0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9958 1.9641 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2678 2.4296 -0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3529 1.5921 -0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1814 0.2616 -0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0946 -0.2053 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3053 -0.6645 -0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2400 -1.9525 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6754 -1.3310 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9251 -1.5195 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6141 -1.8336 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8576 2.6351 -0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4342 3.4882 -0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3235 1.9728 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2902 -1.2541 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2764 -0.2219 -0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1377 -2.5440 -0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3333 -2.4377 0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 2 3
8 3 1 0
1 11 1 0
1 12 1 0
1 13 1 0
4 14 1 0
5 15 1 0
6 16 1 0
8 17 1 0
9 18 1 0
10 19 1 0
10 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers