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
3.3585 -1.1854 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1271 -1.2402 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3419 -0.1216 -0.2633 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0268 -0.1377 -0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7042 -1.3324 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0538 -1.2995 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7091 -0.0829 0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0468 1.1273 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6814 1.0565 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0755 2.3228 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9728 -2.0680 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7716 -0.3057 0.5614 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7274 -2.1189 -0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1368 -2.2687 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5675 -2.2452 0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7775 -0.0764 0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5167 2.0809 0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2685 2.4636 -1.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0728 2.2286 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4957 3.2030 0.2471 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