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19835-38-2 | Tricyclo[3.3.1.13,7]decane-1-acetyl chloride
CAS No: 19835-38-2 Catalog No: AG002BGN MDL No:MFCD00277670
Product Description
Catalog Number:
AG002BGN
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-acetyl chloride
CAS Number:
19835-38-2
Molecular Formula:
C12H17ClO
Molecular Weight:
212.7158
MDL Number:
MFCD00277670
IUPAC Name:
2-(1-adamantyl)acetyl chloride
InChI:
InChI=1S/C12H17ClO/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2
InChI Key:
HLQSEJBREPQBRW-UHFFFAOYSA-N
SMILES:
ClC(=O)CC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.717g/mol
Monoisotopic Mass:
212.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Small molecule inhibitors reveal Niemann-Pick C1 is essential for Ebola virus infection. | Nature 20110915 |
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