200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 39637-74-6
39637-74-6 | (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride
CAS No: 39637-74-6 Catalog No: AG0032BM MDL No:MFCD00135626
Product Description
Catalog Number:
AG0032BM
Chemical Name:
(1S,4R)-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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.