Monomers
1-Methoxy-3-vinylbenzene
Identifiers
IUPAC name
1-ethenyl-3-methoxybenzene
InchI
InChI=1S/C9H10O/c1-3-8-5-4-6-9(7-8)10-2/h3-7H,1H2,2H3
InchI Key
PECUPOXPPBBFLU-UHFFFAOYSA-N
SMILES
COc1cccc(c1)C=C
Canonical SMILES
COC1=CC=CC(=C1)C=C
Isomeric SMILES
COC1=CC=CC(=C1)C=C
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
2.3382
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
-3.5785 -0.3948 0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3089 -0.8888 0.7154 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1270 -0.2836 0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1926 0.8524 -0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0197 1.4528 -0.9707 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2063 0.8958 -0.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3070 -0.2307 0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1109 -0.7924 0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5958 -0.8171 0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7542 -0.3636 0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8923 -0.6103 -0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3554 -0.7879 1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5512 0.7129 0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1634 1.2743 -0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1041 2.3454 -1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0983 1.3796 -0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1614 -1.6834 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5681 -1.7263 1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6622 -0.8551 0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8287 0.5208 -0.4494 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 2 3
8 3 1 0
1 11 1 0
1 12 1 0
1 13 1 0
4 14 1 0
5 15 1 0
6 16 1 0
8 17 1 0
9 18 1 0
10 19 1 0
10 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers