O-2-Propynylhydroxylamine hydrochloride

CAT: 0926-WAA66379-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-WAA66379-01Size:100 mg

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CAS Number

21663-79-6

MDL Number

MFCD12912207

Smiles

C#CCON.Cl

Molecular Formula

C3H5NO•HCl

Molecular Weight

107.54 g/mol

Controlled

Chemical Information

O-(prop-2-yn-1-yl)hydroxylamine hydrochloride

CAS Number	21663-79-6
PubChem CID	13502403
IUPAC Name	O-prop-2-ynylhydroxylamine;hydrochloride
Molecular Formula	C3H6ClNO
Molecular Weight	107.54
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	51

SMILES

C#CCON.Cl

InChI

InChI=1S/C3H5NO.ClH/c1-2-3-5-4;/h1H,3-4H2;1H

InChIKey

CEFBXYRCGUITCZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21663-79-6

CID: 13502403

Formula: C3H6ClNO

MW: 107.54

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	107.54
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	107.0137915
Monoisotopic Mass	107.0137915
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	51.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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