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
2.8439 -1.3285 0.8658 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6786 -1.2470 0.0694 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0898 -0.0063 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8640 0.9723 -0.5286 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3301 0.1728 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0975 -0.9270 0.4383 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4509 -0.8733 0.6447 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0988 0.3391 0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3716 1.4347 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0022 1.3549 -0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2109 -2.3697 0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7059 -0.9355 1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6699 -0.7633 0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4670 1.9499 -0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9395 0.8451 -0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6189 -1.8968 0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0130 -1.7478 0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1773 0.3876 0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8533 2.3829 -0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4562 2.2559 -0.4785 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