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
3.0375 1.0341 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8395 0.6288 0.6182 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0674 -0.4315 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6702 -1.5316 -0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3654 -0.1922 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2150 -1.1658 -0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6015 -0.9499 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0850 0.2639 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2665 1.2721 0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9143 1.0029 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7992 0.2243 -0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8459 1.3513 -1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4470 1.8733 0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1380 -2.3784 -0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7441 -1.5761 -0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8101 -2.1066 -0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2472 -1.7462 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1438 0.4522 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6864 2.2028 0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2534 1.7724 0.8839 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