(Z) -N',3-dihydroxypropanimidamide

CAT: 0127-OR1075335Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1075335Size:1 g

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CAS Number

53370-50-6

MDL Number

MFCD09044306

Purity

=95%

Smiles

NC(CCO)=N/O

Chemical Information

(1Z)-N',3-Dihydroxypropanimidamide

See also: 3,N-Dihydroxy-propionamidine (preferred).

CAS Number	53370-50-6
PubChem CID	9622258
IUPAC Name	N',3-dihydroxypropanimidamide
Molecular Formula	C3H8N2O2
Molecular Weight	104.11
XLogP	-1.4
Topological Polar Surface Area	78.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	71

SMILES

C(CO)/C(=N/O)/N

InChI

InChI=1S/C3H8N2O2/c4-3(5-7)1-2-6/h6-7H,1-2H2,(H2,4,5)

InChIKey

GBWDQWAJGWNKHQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53370-50-6

CID: 9622258

Formula: C3H8N2O2

MW: 104.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.11
XLogP3	-1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	104.058577502
Monoisotopic Mass	104.058577502
Topological Polar Surface Area	78.8 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	71.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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