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93892-60-5 | TETRAHYDRO-1,7,7-TRIMETHYLSPIRO[BICYCLO[2.2.1]HEPTANE-2,2'-[2H]PYRAN]-6'-OL
CAS No: 93892-60-5 Catalog No: AG005Z55 MDL No:
Product Description
Catalog Number:
AG005Z55
Chemical Name:
TETRAHYDRO-1,7,7-TRIMETHYLSPIRO[BICYCLO[2.2.1]HEPTANE-2,2'-[2H]PYRAN]-6'-OL
CAS Number:
93892-60-5
Molecular Formula:
C14H24O2
Molecular Weight:
224.3392
IUPAC Name:
1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,6'-oxane]-2'-ol
InChI:
InChI=1S/C14H24O2/c1-12(2)10-6-8-13(12,3)14(9-10)7-4-5-11(15)16-14/h10-11,15H,4-9H2,1-3H3
InChI Key:
HTDRMLQEGSMZSN-UHFFFAOYSA-N
SMILES:
OC1CCCC2(O1)CC1C(C2(C)CC1)(C)C
EC Number:
299-545-7
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.344g/mol
Monoisotopic Mass:
224.178g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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