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N'-Hydroxyoxolane-3-carboximidamide

CAT: 0926-BAC41785-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-BAC41785-01Size:50 mg
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CAS Number
1251417-85-2
MDL Number
MFCD19982675
Smiles
C1COCC1C (=NO) N
Molecular Formula
C5H10N2O2
Molecular Weight
130.15 g/mol
Controlled
No

Chemical Information

N'-hydroxyoxolane-3-carboximidamide
CAS Number1251417-85-2
PubChem CID54595244
IUPAC NameN'-hydroxyoxolane-3-carboximidamide
Molecular FormulaC5H10N2O2
Molecular Weight130.15
XLogP-0.7
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity124
SMILES
C1COCC1/C(=N/O)/N
InChI
InChI=1S/C5H10N2O2/c6-5(7-8)4-1-2-9-3-4/h4,8H,1-3H2,(H2,6,7)
InChIKey
MQHAXHRKPMZBQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'-hydroxyoxolane-3-carboximidamide
CAS: 1251417-85-2
CID: 54595244
Formula: C5H10N2O2
MW: 130.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.15
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass130.074227566
Monoisotopic Mass130.074227566
Topological Polar Surface Area67.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity124
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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