Monomers
3-Vinylphenol
Identifiers
IUPAC name
3-ethenylphenol
InchI
InChI=1S/C8H8O/c1-2-7-4-3-5-8(9)6-7/h2-6,9H,1H2
InchI Key
YNGIFMKMDRDNBQ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)O
Canonical SMILES
C=CC1=CC(=CC=C1)O
Isomeric SMILES
C=CC1=CC(=CC=C1)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H8O
Heavy Atom Count
9
Molecular Weight
120.151
Exact Molecular Weight
120.0575
Valence Electrons
46
Radical Electrons
0
tPSA
20.23
MolLogP
2.0352
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
17 17 0 0 0 0 0 0 0 0999 V2000
2.9920 -0.1352 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9125 -0.8165 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5764 -0.2029 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3463 1.1432 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9447 1.6669 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0244 0.8615 0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7968 -0.4910 0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5174 -0.9950 0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8514 -1.3569 0.7307 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9931 0.9399 -0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9390 -0.6468 -0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0083 -1.8947 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1744 1.7936 -0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0935 2.7334 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0269 1.2605 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3234 -2.0729 0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3633 -1.7871 -0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
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
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
6 15 1 0
8 16 1 0
9 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers