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Home > Other Heterocycles > 80826-41-1
80826-41-1 | Phenol, 4-(1,4-dioxaspiro[4.5]dec-6-ylmethyl)-
CAS No: 80826-41-1 Catalog No: AG005IP0 MDL No:
Product Description
Catalog Number:
AG005IP0
Chemical Name:
Phenol, 4-(1,4-dioxaspiro[4.5]dec-6-ylmethyl)-
CAS Number:
80826-41-1
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
IUPAC Name:
4-(1,4-dioxaspiro[4.5]decan-6-ylmethyl)phenol
InChI:
InChI=1S/C15H20O3/c16-14-6-4-12(5-7-14)11-13-3-1-2-8-15(13)17-9-10-18-15/h4-7,13,16H,1-3,8-11H2
InChI Key:
VHYKQTMKHOQBTD-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)CC1CCCCC21OCCO2
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.322g/mol
Monoisotopic Mass:
248.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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