Hydrindantin Dihydrate

CAT: 0127-OR1025072-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1025072-01Size:250 mg

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CAS Number

16289-95-5

Synonyms

2-hydroxy-2- (2-hydroxy-1,3-dioxoinden-2-yl) indene-1,3-dione; dihydrate

Purity

97%

Smiles

C1=CC=C2C(=C1)C(=O)C(C2=O)(C3(C(=O)C4=CC=CC=C4C3=O)O)O.O.O

Chemical Information

Hydrindantin dihydrate

CAS Number	16289-95-5
PubChem CID	22232
IUPAC Name	2,3,3-trihydroxy-2-(1,1,2-trihydroxy-3-oxoinden-2-yl)inden-1-one
Molecular Formula	C18H14O8
Molecular Weight	358.3
XLogP	-2.1
Topological Polar Surface Area	156
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Heavy Atom Count	26
Formal Charge	0
Complexity	602

SMILES

C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O

InChI

InChI=1S/C18H14O8/c19-13-9-5-1-3-7-11(9)17(23,24)15(13,21)16(22)14(20)10-6-2-4-8-12(10)18(16,25)26/h1-8,21-26H

InChIKey

QHVADKNWNMILPQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16289-95-5

CID: 22232

Formula: C18H14O8

MW: 358.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	358.3
XLogP3	-2.1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Exact Mass	358.06886740
Monoisotopic Mass	358.06886740
Topological Polar Surface Area	156 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	602
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GK5212-50g	Hydrindantin dihydrate
58435547	Hydrindantin dihydrate 96%
90026444	Hydrindantin
HY-W011112-01	Hydrindantin hydrate
H08410-01	Hydrindantin anhydrous
GTR19202224	Alvimopan dihydrate (LY246736 dihydrate)
TBS0011-500G	A, a-Trehalose Dihydrate
GTR19202124-01	Balofloxacin Dihydrate