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Home > Other Heterocycles > 16750-85-9
16750-85-9 | Bicyclo[3.1.1]hept-2-en-6-one, 2,4,4-trimethyl-, (1R,5S)-
CAS No: 16750-85-9 Catalog No: AG001XFL MDL No:
Product Description
Catalog Number:
AG001XFL
Chemical Name:
Bicyclo[3.1.1]hept-2-en-6-one, 2,4,4-trimethyl-, (1R,5S)-
CAS Number:
16750-85-9
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
(1R,5S)-2,4,4-trimethylbicyclo[3.1.1]hept-2-en-6-one
InChI:
InChI=1S/C10H14O/c1-6-5-10(2,3)8-4-7(6)9(8)11/h5,7-8H,4H2,1-3H3/t7-,8-/m1/s1
InChI Key:
FZSKMKOCZZKCJL-HTQZYQBOSA-N
SMILES:
CC1=CC(C)(C)[C@@H]2C[C@H]1C2=O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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