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-) -Camphanic acid chloride

CAT: 0063-46335647Size: 5 gDry Ice: NoHazardous: No
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CAS Number
39637-74-6

Chemical Information

3-Oxa-2-oxobornane-4-carbonyl chloride

See also: (IS)-(-) Camphonic acid chloride (annotation moved to).

CAS Number39637-74-6
PubChem CID170232
IUPAC Name(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride
Molecular FormulaC10H13ClO3
Molecular Weight216.66
XLogP2.3
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity336
SMILES
C[C@@]12CC[C@@](C1(C)C)(OC2=O)C(=O)Cl
InChI
InChI=1S/C10H13ClO3/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3/t9-,10+/m0/s1
InChIKey
PAXWODJTHKJQDZ-VHSXEESVSA-N
Chemical Structure
2D Structure
2D structure of 3-Oxa-2-oxobornane-4-carbonyl chloride
CAS: 39637-74-6
CID: 170232
Formula: C10H13ClO3
MW: 216.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.66
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass216.0553220
Monoisotopic Mass216.0553220
Topological Polar Surface Area43.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-224998(1R) - (+) -Camphanic chloride
229271-01(1S) - (-) -Camphanic chloride
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269641-01(1S) - (-) -Camphanic acid
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