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
-2.6417 0.1284 1.2767 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9080 -0.9320 0.6523 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1339 -0.6281 -0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6544 -0.7119 -1.6391 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2378 -0.2234 -0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7668 -0.1440 1.0375 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0695 0.2380 1.2529 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9227 0.5616 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3877 0.4781 -1.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0853 0.0988 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1848 -0.3104 2.1212 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9015 0.9058 1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4182 0.5385 0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1721 -0.5069 -2.5773 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7025 -1.0237 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0955 -0.3992 1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4582 0.2926 2.2683 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9459 0.8610 0.3973 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0268 0.7247 -1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7212 0.0522 -2.3270 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