6-(Acetyloxy)-2-naphthalenecarboxylic acid

C13H10O4CAS 17295-26-0230.22 g/mol

Open in Covalent MOL file
OOOOH
Carboxylic acidEster

Properties

Molecular formula
C13H10O4
Molar mass
230.22 g/mol
Exact mass
230.0579 Da
logP
2.46Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
17295-26-0
SMILES
CC(=O)Oc1ccc2cc(C(=O)O)ccc2c1
InChIKey
NFTLBCXRDNIJMI-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O4/c1-8(14)17-12-5-4-9-6-11(13(15)16)3-2-10(9)7-12/h2-7H,1H3,(H,15,16)

Weigh it out

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

Names and synonyms

8 names
  • 2-Naphthalenecarboxylic acid, 6-(acetyloxy)-
  • 2-Naphthoic acid, 6-hydroxy-, acetate
  • 6-Acetoxy-2-naphthoic acid
  • 6-Acetyloxy-2-naphthoic acid
  • 6-Acetoxynaphthalene-2-carboxylic acid
  • 2-Acetoxy-6-naphthoic acid
  • 2-Acetoxy-6-naphthalenecarboxylic acid
  • 6-Acetoxy-β-naphthoic acid

Work with 6-(Acetyloxy)-2-naphthalenecarboxylic 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

p-Acetoxybenzoic acid2345-34-871 % similar 2,6-Naphthalenediol diacetate22426-47-770 % similar 3-(Acetyloxy)benzoic acid6304-89-868 % similar 6-Methoxy-2-naphthoic acid2471-70-766 % similar 2-Naphthyl acetate1523-11-162 % similar 3,5-Diacetoxybenzoic acid35354-29-162 % similar 2,6-Naphthalenedicarboxylic acid1141-38-461 % similar 2-Naphthoic acid93-09-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4-Trihydroxybenzophenone1143-72-2 2,4,4'-Trihydroxybenzophenone1470-79-7 4,4'-Dihydroxy-biphenyl-2-carboxylic acid53197-57-2 Visnagin82-57-5

Elsewhere

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