Phloretic acid
Properties
- Molecular formula
- C9H10O3
- Molar mass
- 166.18 g/mol
- Exact mass
- 166.0630 Da
- Melting point
- 130.8 °C
- Boiling point
- 208–210 °C
- logP
- 1.41Crippen estimate
- Polar surface area
- 57.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Identifiers
CAS number
501-97-3SMILES
O=C(O)CCc1ccc(O)cc1InChIKey
NMHMNPHRMNGLLB-UHFFFAOYSA-NInChI
InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
26 names · show all
- Benzenepropanoic acid, 4-hydroxy-
- Hydrocinnamic acid, p-hydroxy-
- 4-Hydroxybenzenepropanoic acid
- β-(p-Hydroxyphenyl)propionic acid
- 3-(p-Hydroxyphenyl)propionic acid
- Hydro-p-coumaric acid
- p-Hydroxyphenylpropionic acid
- p-Hydroxyhydrocinnamic acid
- 3-(4-Hydroxyphenyl)propanoic acid
- 3-(4-Hydroxyphenyl)propionic acid
- 3-(4′-Hydroxyphenyl)propionic acid
- Dihydro-p-coumaric acid
- β-(4-Hydroxyphenyl)propionic acid
- 4-(2-Carboxyethyl)phenol
- 2,3-Dihydro-p-coumaric acid
- 4-Hydroxydihydrocinnamic acid
- NSC 40949
- NSC 65596
- QuantaBlu
- Desaminotyrosine
- 3-(p-Hydroxyphenyl)propanoic acid
- Dihydrocoumaric acid
- 4-(2-Carboxylethyl)phenol
- Phloretinic acid
- 4-Hydroxybenzenepropionic acid
- p-Hydroxybenzene propanoic acid
Work with Phloretic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,4-Benzenedipropanoic acid4251-21-279 % similar
4-Hydroxybenzenebutanoic acid7021-11-679 % similar
3-(4-Bromophenyl)propionic acid1643-30-769 % similar
4-Hydroxyphenylacetic acid156-38-768 % similar
3-(3′-Hydroxyphenyl)propionic acid621-54-566 % similar
3-(4-Methylphenyl)propionic acid1505-50-663 % similar
3-(4-Aminophenyl)propionic acid2393-17-163 % similar
3-(4-Fluorophenyl)propionic acid459-31-463 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds