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Home > Other Heterocycles > 98490-87-0
98490-87-0 | Bicyclo[3.1.1]heptane-1-carbonylchloride, 6-oxo-
CAS No: 98490-87-0 Catalog No: AG006837 MDL No:
Product Description
Catalog Number:
AG006837
Chemical Name:
Bicyclo[3.1.1]heptane-1-carbonylchloride, 6-oxo-
CAS Number:
98490-87-0
Molecular Formula:
C8H9ClO2
Molecular Weight:
172.6089
IUPAC Name:
6-oxobicyclo[3.1.1]heptane-1-carbonyl chloride
InChI:
InChI=1S/C8H9ClO2/c9-7(11)8-3-1-2-5(4-8)6(8)10/h5H,1-4H2
InChI Key:
LMURSYKCDFCGEX-UHFFFAOYSA-N
SMILES:
ClC(=O)C12CCCC(C1)C2=O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.608g/mol
Monoisotopic Mass:
172.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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