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N-Cyclopropylcyclopropanecarboxamide

CAT: 0127-OR1055298-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1055298-01Size:250 mg
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CAS Number
1453-50-5
MDL Number
MFCD00182390
Purity
97%
Smiles
O=C(C1CC1)NC2CC2

Chemical Information

Cyclopropanecarboxylic acid cyclopropylamide
CAS Number1453-50-5
PubChem CID351205
IUPAC NameN-cyclopropylcyclopropanecarboxamide
Molecular FormulaC7H11NO
Molecular Weight125.17
XLogP0.6
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity136
SMILES
C1CC1C(=O)NC2CC2
InChI
InChI=1S/C7H11NO/c9-7(5-1-2-5)8-6-3-4-6/h5-6H,1-4H2,(H,8,9)
InChIKey
HCCHMKIFYLZSOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclopropanecarboxylic acid cyclopropylamide
CAS: 1453-50-5
CID: 351205
Formula: C7H11NO
MW: 125.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight125.17
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass125.084063974
Monoisotopic Mass125.084063974
Topological Polar Surface Area29.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes