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Home> Hot Product Listed Z   > ZINC12505768
92565-73-6 structure

ZINC12505768

Iupac Name:2-pentan-2-yloxyacetic acid
CAS No.:92565-73-6
Molecular Weight:146.186
Molecular Formula:C12H13CLN2O2 (isomer)
Names and Identifiers
Synonyms

2-(1h-1,2,4-triazol-1-yl)nicotinic acid 2-(1h-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid AC1Q72DC AJ-62561 AK-68135 AKOS000263293 EN300-28571 MOLPORT-004-412-205

Inchi
InChI=1S/C7H14O3/c1-3-4-6(2)10-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChkey
COUUXMDMAVZONV-UHFFFAOYSA-N
Canonical Smiles
CCCC(C)OCC(=O)O
Properties
Refractive Index
1.432
Computational chemical data
  • Molecular Weight:146.186g/mol
  • Molecular Formula:C12H13CLN2O2
  • Compound Is Canonicalized:True
  • Exact Mass:146.094
  • Monoisotopic Mass:146.094
  • Complexity:101
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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