6- (Hydroxymethyl) -5,5-dimethylmorpholin-3-one

CAT: 0926-VSD50617-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-VSD50617-01Size:50 mg

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CAS Number

2320506-17-8

MDL Number

MFCD31658152

Smiles

CC1 (C) NC (=O) COC1CO

Molecular Formula

C7H13NO3

Molecular Weight

159.2 g/mol

Controlled

Chemical Information

6-(Hydroxymethyl)-5,5-dimethylmorpholin-3-one

CAS Number	2320506-17-8
PubChem CID	134163299
IUPAC Name	6-(hydroxymethyl)-5,5-dimethylmorpholin-3-one
Molecular Formula	C7H13NO3
Molecular Weight	159.18
XLogP	-0.8
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	167

SMILES

CC1(C(OCC(=O)N1)CO)C

InChI

InChI=1S/C7H13NO3/c1-7(2)5(3-9)11-4-6(10)8-7/h5,9H,3-4H2,1-2H3,(H,8,10)

InChIKey

GGSWBXKNZJPIKT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2320506-17-8

CID: 134163299

Formula: C7H13NO3

MW: 159.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.18
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	159.08954328
Monoisotopic Mass	159.08954328
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MCC45713-01	6,6-Dimethylmorpholin-3-one
TDA24061-01	2,6-Dimethylmorpholin-3-one
VID40967-01	Tert-Butyl N-{[3- (hydroxymethyl) -5,5-dimethylmorpholin-3-yl]methyl}carbamate
DPC40900-01	3-[2,6-Dimethylmorpholin-4-yl]-5-fluoroaniline
HFA86553	5-Chloro-3-hydroxymethyl-6-methoxypyridine
EMB01995-01	6- (Hydroxymethyl) morpholin-3-one
LCC31586-01	6- (2,5-Dimethylmorpholin-4-yl) pyridine-3-carboximidamide dihydrochloride
KEC94406-01	6-Chloro-5- (hydroxymethyl) pyridine-3-carbonitrile
YAA37217-01	4- (Hydroxymethyl) -5,6-dimethylpyridazin-3-ol
PID25511-01	6- (Hydroxymethyl) -2-oxa-5,8-diazaspiro[3.5]nonan-7-one

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