Carboxy-PTIO potassium

CAT: 0127-BUP20607-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP20607-01Size:2 mg

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CAS Number

213007-95-5

Synonyms

CPTIO potassium

Smiles

O(C1=C2C(=CC=C1OC)CCC2)[C@H]3CCNC3.Cl

Chemical Information

(3S)-3-[(2,3--Dihydro-5-methoxy-1H-inden-4-yl)oxy]pyrrolidine hydrochloride

CAS Number	213007-95-5
PubChem CID	9881884
IUPAC Name	(3S)-3-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]pyrrolidine;hydrochloride
Molecular Formula	C14H20ClNO2
Molecular Weight	269.77
Topological Polar Surface Area	30.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	259

SMILES

COC1=C(C2=C(CCC2)C=C1)O[C@H]3CCNC3.Cl

InChI

InChI=1S/C14H19NO2.ClH/c1-16-13-6-5-10-3-2-4-12(10)14(13)17-11-7-8-15-9-11;/h5-6,11,15H,2-4,7-9H2,1H3;1H/t11-;/m0./s1

InChIKey

KJEAKWPQCIAVGR-MERQFXBCSA-N

Chemical Structure

2D Structure

CAS: 213007-95-5

CID: 9881884

Formula: C14H20ClNO2

MW: 269.77

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.77
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	269.1182566
Monoisotopic Mass	269.1182566
Topological Polar Surface Area	30.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	259
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
OR1014851-01	PTIO
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OR1100324-01	Potassium but-2-ynedioate (potassium)
IN2887	Potassium
OR1004995	5-Carboxy-2'-deoxyuridine
OR1038991-01	Carboxy-PEG4-sulfonic acid
OR1038752-01	Carboxy-PEG4-phosphonic acid
OR1011842-01	5-Carboxy-X-Rhodamine

Catalog	Name
HY-18734A-01	Carboxy-PTIO (potassium)
T22623-01	Carboxy-PTIO potassium
B6445-100	Carboxy-PTIO, potassium salt
267355-01	Carboxy-PTIO potassium salt
HY-18734AR	Carboxy-PTIO (potassium) (Standard)
C1215-68	Carboxy-PTIO, Potassium Salt (2- (4-Carboxyphenyl) -4,5-dihydro-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl, Potassium Salt)
TRC-P478980-1G	Potassium 2-Carboxy-5-nitrobenzenesulfonate
sc-264093A	Potassium (3-carboxy-5-nitrophenyl) trifluoroborate
SEA01281-01	Potassium hydrogen [2-carboxy-2- (propan-2-ylidene) ethyl]phosphonate
MTA65165-01	Potassium 4-carboxy-1,2,5-thiadiazole-3-carboxylate hydrate