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4-Cyclobutanecarbonylaniline

CAT: 0127-OR1036400-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1036400-01Size:50 mg
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CAS Number
1339232-25-5
Purity
97%
Smiles
NC1=CC=C(C(C2CCC2)=O)C=C1

Chemical Information

4-Cyclobutanecarbonylaniline
CAS Number1339232-25-5
PubChem CID64193831
IUPAC Name(4-aminophenyl)-cyclobutylmethanone
Molecular FormulaC11H13NO
Molecular Weight175.23
XLogP1.9
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity190
SMILES
C1CC(C1)C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H13NO/c12-10-6-4-9(5-7-10)11(13)8-2-1-3-8/h4-8H,1-3,12H2
InChIKey
LXTHVGZRVLIZPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Cyclobutanecarbonylaniline
CAS: 1339232-25-5
CID: 64193831
Formula: C11H13NO
MW: 175.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.23
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass175.099714038
Monoisotopic Mass175.099714038
Topological Polar Surface Area43.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity190
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

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