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
-3.0063 -0.2388 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8623 -0.8350 0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5761 -0.2451 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4486 1.0049 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7989 1.5191 -0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9590 0.8158 -0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8474 -0.4309 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6161 -0.9383 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0028 -1.1533 0.2063 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9143 -0.7309 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0662 0.7387 -0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8107 -1.8432 0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3472 1.5956 -0.6525 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8470 2.5108 -1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9382 1.2379 -0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5249 -1.9392 0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4976 -1.0680 1.0865 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