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
2.8189 -1.8626 1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5387 -1.6861 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9483 -0.4590 0.9110 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0592 -0.1331 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5666 -1.0542 -0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5700 -0.7262 -1.7777 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0489 0.5680 -1.7244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5498 1.4882 -0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5467 1.1568 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0042 2.1591 1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2497 -2.8357 1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3937 -0.9774 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9449 -2.5574 0.7868 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1617 -2.0592 -0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9515 -1.4601 -2.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8475 0.8128 -2.4388 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9477 2.4958 -0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0551 3.1490 0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6285 2.1084 1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0431 1.8728 1.2578 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