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
-3.3619 0.6974 0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0072 0.8811 0.6463 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9763 0.1754 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1983 -0.8394 -0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1240 -1.5468 -1.3639 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1525 -1.2226 -0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4052 -0.1952 -0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3224 0.4798 0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7753 0.0900 0.2585 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1569 1.0188 1.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9235 1.1739 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6738 -0.3615 0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6850 1.2207 -0.5221 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2207 -1.0675 -1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3569 -2.3371 -2.0724 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9578 -1.7827 -1.4375 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5229 1.2692 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5799 -0.5017 -0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4503 1.6436 1.6013 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2046 1.2046 1.3285 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