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
-2.8356 0.6891 -0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1406 0.2462 0.4923 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0985 -0.6883 0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4330 -1.9513 0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2614 -0.2012 0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5311 1.1666 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8194 1.6478 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8905 0.8073 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6319 -0.5468 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3359 -1.0326 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3491 -0.1276 -1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1577 1.1718 -1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5603 1.4707 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7030 -2.7407 0.1861 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4584 -2.2934 0.3609 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3094 1.8443 0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9766 2.7270 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9145 1.1708 0.0429 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4667 -1.2417 -0.0698 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2173 -2.1178 0.0640 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