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
2.4752 -0.3222 -2.4968 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1985 -0.2606 -2.1623 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7547 0.5756 -1.1501 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0432 0.0096 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4020 -1.3241 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1973 -1.8654 0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6575 -1.0611 1.8615 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3041 0.2893 1.8675 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5059 0.8077 0.8617 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1411 2.2303 0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8302 -0.9568 -3.2687 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1780 0.2991 -1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4774 -0.8870 -2.7004 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0549 -1.9805 -0.9476 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4362 -2.9239 0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2815 -1.4728 2.6453 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6545 0.9358 2.6612 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7336 2.4692 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9991 2.8207 0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0297 2.6173 1.9010 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