(4-Vinylphenyl)methanol
Properties
- Molecular formula
- C9H10O
- Molar mass
- 134.18 g/mol
- Exact mass
- 134.0732 Da
- logP
- 1.82Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
1074-61-9SMILES
C=CC1=CC=C(C=C1)COInChIKey
CLECMSNCZUMKLM-UHFFFAOYSA-NInChI
InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h2-6,10H,1,7H2Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.35 (m, J = 7.7 Hz, 2H), 7.26 (m, J = 7.7 Hz, 2H), 6.63 (dd, J = 16.8, 10.8 Hz, 1H), 5.61 (dd, J = 16.8, 1.4 Hz, 1H), 5.18 (dd, J = 10.8, 1.4 Hz, 1H), 4.71 (s, 2H), 2.00 (br s, 1H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 140.1, 136.6, 135.8, 126.9, 126.2, 112.3, 65.5.[M + H]+
[M + H]+ Calcd for C9H11O 135.0804[M + Na]+
[M + Na]+ Calcd for C9H10NaO 157.0624[M − H]−
[M − H]− Calcd for C9H9O 133.0659Elemental analysis
Anal. Calcd for C9H10O: C, 80.56; H, 7.51.Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (4-Vinylphenyl)methanol
Similar compounds
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1,4-Benzenedimethanol589-29-757 % similar
4-Vinylbenzyl chloride1592-20-756 % similar
4-Vinylbenzylamine (stabilized with MEHQ)50325-49-056 % similar
4,4'-Bis(hydroxymethyl)biphenyl1667-12-550 % similar
(Dimethylaminomethyl)styrene2245-52-550 % similar
4-Vinylphenol2628-17-350 % similar
4,4′-Diethenyl-1,1′-biphenyl4433-13-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.