Monomers
Benzene, (1-methoxyethenyl)-
Identifiers
IUPAC name
1-methoxyethenylbenzene
InchI
InChI=1S/C9H10O/c1-8(10-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
SIZDIMDMQQFWLM-UHFFFAOYSA-N
SMILES
COC(=C)c1ccccc1
Canonical SMILES
COC(=C)C1=CC=CC=C1
Isomeric SMILES
COC(=C)C1=CC=CC=C1
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
2.3037
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
-3.2013 0.4881 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9756 0.5279 -0.0862 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0226 -0.4674 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3797 -1.7150 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3755 -0.1077 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7326 1.2465 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0491 1.6336 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0704 0.7229 -0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7605 -0.6042 -0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4254 -0.9873 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1192 0.3662 1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7930 -0.3796 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7476 1.4365 0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4576 -1.9416 0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7524 -2.5808 -0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0554 1.9983 -0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2961 2.6981 -0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0957 1.0809 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5318 -1.3595 -0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1673 -2.0559 -0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
3 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
1 11 1 0
1 12 1 0
1 13 1 0
4 14 1 0
4 15 1 0
6 16 1 0
7 17 1 0
8 18 1 0
9 19 1 0
10 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers