Monomers
1-Ethenoxy-2-methylbenzene
Identifiers
IUPAC name
1-ethenoxy-2-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
InchI Key
TWWWGBSUPNNTMJ-UHFFFAOYSA-N
SMILES
C=COc1ccccc1C
Canonical SMILES
CC1=CC=CC=C1OC=C
Isomeric SMILES
CC1=CC=CC=C1OC=C
Resources
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
2.5173
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
-3.1639 -1.4231 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0717 -1.0489 -0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4031 0.0987 -0.4040 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0447 -0.0040 -0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6127 -1.2063 -0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9646 -1.3117 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6800 -0.2002 0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0069 0.9964 0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6637 1.1317 0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0905 2.3810 0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5351 -0.8521 0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6930 -2.3134 -0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7117 -1.6530 -1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0206 -2.0593 -0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4567 -2.2721 -0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7408 -0.2663 0.5683 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5286 1.9057 0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0907 2.9045 -0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1544 2.1586 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2842 3.0339 1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
9 4 1 0
1 11 1 0
1 12 1 0
2 13 1 0
5 14 1 0
6 15 1 0
7 16 1 0
8 17 1 0
10 18 1 0
10 19 1 0
10 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers