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Home > Other Heterocycles > 1821753-80-3
1821753-80-3 | rac-(1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one, cis
CAS No: 1821753-80-3 Catalog No: AG01C30A MDL No:MFCD29912950
Product Description
Catalog Number:
AG01C30A
Chemical Name:
rac-(1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one, cis
CAS Number:
1821753-80-3
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
MDL Number:
MFCD29912950
IUPAC Name:
(1S,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one
InChI:
InChI=1S/C10H16O/c1-10(2)8-6-4-3-5-7(8)9(10)11/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChI Key:
UCKQUWDHMIIOJY-YUMQZZPRSA-N
SMILES:
O=C1[C@H]2CCCC[C@H]2C1(C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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