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126991-59-1

126991-59-1 | 1,4-Dioxaspiro[4.5]decan-8-ol, 8-(4-chlorophenyl)-

CAS No: 126991-59-1 Catalog No: AG000WI3 MDL No:

Product Description

Catalog Number:
AG000WI3
Chemical Name:
1,4-Dioxaspiro[4.5]decan-8-ol, 8-(4-chlorophenyl)-
CAS Number:
126991-59-1
Molecular Formula:
C14H17ClO3
Molecular Weight:
268.7360
IUPAC Name:
8-(4-chlorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
InChI:
InChI=1S/C14H17ClO3/c15-12-3-1-11(2-4-12)13(16)5-7-14(8-6-13)17-9-10-18-14/h1-4,16H,5-10H2
InChI Key:
KPILSHSOLNVPLU-UHFFFAOYSA-N
SMILES:
OC1(CCC2(CC1)OCCO2)c1ccc(cc1)Cl

Properties

Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.087g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.737g/mol
Monoisotopic Mass:
268.087g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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