chempirical

2,3-Dihydro-5-benzofuranacetic acid

C10H10O3CAS 69999-16-2178.19 g/mol

Open in Covalent MOL file
OHOO
Carboxylic acidEther

Properties

Molecular formula
C10H10O3
Molar mass
178.19 g/mol
Exact mass
178.0630 Da
Melting point
96 °C
logP
1.25Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
69999-16-2
SMILES
O=C(O)Cc1ccc2c(c1)CCO2
InChIKey
LALSYIKKTXUSLG-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O3/c11-10(12)6-7-1-2-9-8(5-7)3-4-13-9/h1-2,5H,3-4,6H2,(H,11,12)

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Names and synonyms

6 names
  • 5-Benzofuranacetic acid, 2,3-dihydro-
  • (2,3-Dihydrobenzofuran-5-yl)acetic acid
  • 2,3-Dihydrobenzofuran-5-acetic acid
  • 2-(2,3-Dihydrobenzofuran-5-yl)acetic acid
  • 2,3-Dihydro-1-benzofuran-5-ylacetic acid
  • 2-(2,3-Dihydro-1-benzofuran-5-yl)acetic acid

Work with 2,3-Dihydro-5-benzofuranacetic 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

1,3-Benzodioxole-5-acetic acid2861-28-161 % similar 3,4-Diethoxybenzeneacetic acid38464-04-960 % similar (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-757 % similar 4-Ethoxy-3-methoxybenzeneacetic acid120-13-855 % similar 5-(2-Bromoethyl)-2,3-dihydrobenzofuran127264-14-653 % similar 3-Ethoxy-4-hydroxybenzeneacetic acid80018-50-452 % similar 1,4-Benzenediacetic acid7325-46-452 % similar 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-851 % similar

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

Same formula

trans-2-Methoxycinnamic acid1011-54-7 1-[4-(Acetyloxy)phenyl]ethanone13031-43-1 Ethyl benzoylformate1603-79-8 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8 1-[3-(Acetyloxy)phenyl]ethanone2454-35-5 3,4-Methylenedioxypropiophenone28281-49-4 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone2879-20-1

Elsewhere

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