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205639-93-6 | 1,3-Cyclohexadiene-1-carboxylic acid, 5,6-dihydroxy-4-pentyl-, potassium salt (1:1), (5S,6R)-
CAS No: 205639-93-6 Catalog No: AG002A8F MDL No:
Product Description
Catalog Number:
AG002A8F
Chemical Name:
1,3-Cyclohexadiene-1-carboxylic acid, 5,6-dihydroxy-4-pentyl-, potassium salt (1:1), (5S,6R)-
CAS Number:
205639-93-6
IUPAC Name:
potassium;(5S,6R)-5,6-dihydroxy-4-pentylcyclohexa-1,3-diene-1-carboxylate
InChI:
InChI=1S/C12H18O4.K/c1-2-3-4-5-8-6-7-9(12(15)16)11(14)10(8)13;/h6-7,10-11,13-14H,2-5H2,1H3,(H,15,16);/q;+1/p-1/t10-,11+;/m0./s1
InChI Key:
BBLPZPQHEWQLGM-VZXYPILPSA-M
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
264.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.362g/mol
Monoisotopic Mass:
264.076g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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