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Home > Other Heterocycles > 133146-67-5
133146-67-5 | 1,4-Dioxaspiro[4.5]decan-8-ol, 8-benzo[b]thien-2-yl-
CAS No: 133146-67-5 Catalog No: AG0014C3 MDL No:
Product Description
Catalog Number:
AG0014C3
Chemical Name:
1,4-Dioxaspiro[4.5]decan-8-ol, 8-benzo[b]thien-2-yl-
CAS Number:
133146-67-5
Molecular Formula:
C16H18O3S
Molecular Weight:
290.3773
IUPAC Name:
8-(1-benzothiophen-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
InChI:
InChI=1S/C16H18O3S/c17-15(5-7-16(8-6-15)18-9-10-19-16)14-11-12-3-1-2-4-13(12)20-14/h1-4,11,17H,5-10H2
InChI Key:
JGLQLUZGWDPZLG-UHFFFAOYSA-N
SMILES:
OC1(CCC2(CC1)OCCO2)c1cc2c(s1)cccc2
NSC Number:
708091
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.377g/mol
Monoisotopic Mass:
290.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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