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Home Carbonyls (1S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride

(1S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride

CAS No.:
39637-74-6
Catalog Number:
AG0032BM
Molecular Formula:
C10H13ClO3
Molecular Weight:
216.6614
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%(GC)
In Stock USA
United States
$76
- +
5g
95%
In Stock USA
United States
$88
- +
25g
95%
In Stock USA
United States
$263
- +
100g
95%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG0032BM
Chemical Name:
(1S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride
CAS Number:
39637-74-6
Molecular Formula:
C10H13ClO3
Molecular Weight:
216.6614
MDL Number:
MFCD00135626
IUPAC Name:
(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride
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
InChI Key:
PAXWODJTHKJQDZ-VHSXEESVSA-N
SMILES:
ClC(=O)[C@@]12CC[C@](C2(C)C)(C(=O)O1)C
EC Number:
254-552-4
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
216.055g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.661g/mol
Monoisotopic Mass:
216.055g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Planar chiral dianthranilide and dithiodianthranilide molecules: optical resolution, chiroptical spectra, and molecular self-assembly. The Journal of organic chemistry 20040220
The determination of the absolute configurations of diastereomers of (S)-camphanoyl 3-hydroxy-5-oxohexanoic acid derivatives by X-ray crystallography. Angewandte Chemie (International ed. in English) 20020402
Properties