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
-3.0032 0.6699 0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9752 0.5647 -0.6506 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0107 -0.4542 -0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3622 -1.6902 -0.8952 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3573 -0.1356 -0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6736 1.1870 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9445 1.5729 0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9119 0.5856 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6625 -0.7361 0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3532 -1.0726 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6616 0.8008 1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6381 1.5358 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7020 -0.2152 0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4183 -1.8427 -1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7092 -2.5456 -0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1014 1.9100 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1788 2.6142 0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9072 0.8690 0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4342 -1.5082 0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1588 -2.1096 -0.3689 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