Hexanoic acid-6,6,6-d3

CAT: 0024-sc-257589Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-257589Size:100 mg

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CAS Number

55320-69-9

Chemical Information

Caproic acid-6,6,6-d3

CAS Number	55320-69-9
PubChem CID	12222599
IUPAC Name	6,6,6-trideuteriohexanoic acid
Molecular Formula	C6H12O2
Molecular Weight	119.18
XLogP	1.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	68

SMILES

[2H]C([2H])([2H])CCCCC(=O)O

InChI

InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/i1D3

InChIKey

FUZZWVXGSFPDMH-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 55320-69-9

CID: 12222599

Formula: C6H12O2

MW: 119.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	119.18
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	119.102559859
Monoisotopic Mass	119.102559859
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	68.9
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-233517B	6- (Tritylthio) -hexanoic acid
sc-233517	6- (Tritylthio) -hexanoic acid
sc-233517A	6- (Tritylthio) -hexanoic acid
sc-233517C	6- (Tritylthio) -hexanoic acid
sc-471871	6-Azido-hexanoic acid
sc-278418	6-[ (aminocarbonyl) amino]hexanoic acid
sc-220421	Zonisamide-N- (6-hexanoic Acid)
sc-357881A	6-Aminooxy-hexanoic acid; hydrobromide
sc-357881	6-Aminooxy-hexanoic acid; hydrobromide
sc-391675	6-[ (Methylsulfonyl) thio]hexanoic Acid

Catalog	Name
TRC-H292147-100MG	Hexanoic-6,6,6-d3 Acid
AR-H07545-01	Hexanoic Acid-6,6,6-d3
OR1063331-01	6- (6-Azidohexanamido) hexanoic acid
OR90472-01	6- (6-Aminohexanamido) hexanoic acid
TRC-A618823-100MG	6-(6-(6-Aminohexanamido)hexanamido)hexanoic Acid
FAA77678-01	6-[6- (6-Aminohexanamido) hexanamido]hexanoic acid
437672-01	6- (6- (6-Aminohexanamido) hexanamido) hexanoic Acid
JBD30593	6- (6-Aminohexanamido) hexanoic acid dihydrochloride
GW4127-50mg	6- (Fluorescein-6-carboxamido) hexanoic acid
4066756.0005	6-Azido-hexanoic acid