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
-2.5948 0.8024 1.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2563 0.4419 -0.1649 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1760 -0.0035 -0.8362 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3980 -0.3876 -2.1017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1923 -0.1064 -0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2782 -0.2339 -1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5570 -0.3479 -0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8131 -0.3412 0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7568 -0.2163 1.5398 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4592 -0.1008 1.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9989 1.6630 1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6514 1.2542 1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6892 -0.0363 1.8154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4376 -0.2940 -2.4465 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6820 -0.7694 -2.7794 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0970 -0.2332 -2.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3883 -0.4463 -1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8229 -0.4324 1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8832 -0.2030 2.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3639 -0.0093 1.7137 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