chempirical

Melilotic acid

C9H10O3CAS 495-78-3166.18 g/mol

Open in Covalent MOL file
OHOHO
Carboxylic acidPhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
163 °C
logP
1.41Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
495-78-3
SMILES
O=C(O)CCc1ccccc1O
InChIKey
CJBDUOMQLFKVQC-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Benzenepropanoic acid, 2-hydroxy-
  • Hydrocinnamic acid, o-hydroxy-
  • 2-Hydroxybenzenepropanoic acid
  • o-Hydroxyphenylpropionic acid
  • Hydro-o-coumaric acid
  • Hydrocoumaric acid
  • o-Hydroxyhydrocinnamic acid
  • 3-(2-Hydroxyphenyl)propanoic acid
  • Salicylacetic acid

Work with Melilotic 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(2-Hydroxyphenyl)acetic acid614-75-568 % similar 3-(2-Methoxyphenyl)propionic acid6342-77-457 % similar 2-(Trifluoromethyl)benzenepropanoic acid94022-99-857 % similar 1,4-Benzenedipropanoic acid4251-21-253 % similar Dihydrocaffeic acid1078-61-153 % similar 1H-Indole-3-propanoic acid830-96-653 % similar 1,2-Benzenediacetic acid7500-53-052 % similar Benzenepentanoic acid2270-20-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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