Chemical Identifier Search

Advertisements

Systematic Name, Synonym, Trade Name,
Registry Number, SMILES, InChI or CSID

Information

Options

Single/Multi-component Search Any Search Single-Component Structures Only Search Multi-Component Structures Only	Isotopically Labeled Search Any Search Isotopically Labeled Structures Only Disregard Isotopically Labeled Structures
Additional Filters Filter only those having spectra associated Filter only those having patents link	Search Hits Limit

6 hits found in 0.07 seconds.
Search terms: LVRFTAZAXQPQHI

Found by InChIKey (skeleton match)

GridTileTableRecordChemReferEntrezPubChem

ID

Structure

Empirical Formula

Molecular Weight

Monoisotopic Mass, Da

LogP

ACD/LogD (pH 5.5)

ACD/LogD (pH 7.4)

InChI=1/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1

C₆H₁₂O₃

132.1577

132.078644

ACD/LogP:	0.71
XLogP:	0.80

-1.39

-2.85

InChI=1/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)

C₆H₁₂O₃

132.1577

132.078644

ACD/LogP:	0.71
XLogP:	0.80
ALOGPS:	0.50

-1.39

-2.85

InChI=1/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1

C₆H₁₂O₃

132.1577

132.078644

ACD/LogP:	0.71
XLogP:	0.80

InChI=1/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/p-1/t5-/m0/s1

C₆H₁₁O₃

131.1503

131.071368

ACD/LogP:

0.71

InChI=1/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/p-1/t5-/m1/s1

C₆H₁₁O₃

131.1503

131.071368

ACD/LogP:

0.71

InChI=1/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/p-1

C₆H₁₁O₃

131.1503

131.071368

ACD/LogP:

0.71

Royal Society of Chemistry