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Home > Other Heterocycles > 93777-36-7
93777-36-7 | 1,3,3-TRIMETHYLSPIRO[BICYCLO[2.2.1]HEPTANE-2,2'-[2H]PYRAN]-4'(3'H)-ONE
CAS No: 93777-36-7 Catalog No: AG0060WH MDL No:
Product Description
Catalog Number:
AG0060WH
Chemical Name:
1,3,3-TRIMETHYLSPIRO[BICYCLO[2.2.1]HEPTANE-2,2'-[2H]PYRAN]-4'(3'H)-ONE
CAS Number:
93777-36-7
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
1',3',3'-trimethylspiro[3H-pyran-2,2'-bicyclo[2.2.1]heptane]-4-one
InChI:
InChI=1S/C14H20O2/c1-12(2)10-4-6-13(3,8-10)14(12)9-11(15)5-7-16-14/h5,7,10H,4,6,8-9H2,1-3H3
InChI Key:
NKHUZICKJDIEGB-UHFFFAOYSA-N
SMILES:
O=C1C=COC2(C1)C1(C)CCC(C2(C)C)C1
EC Number:
298-067-6
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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