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100590-18-9

100590-18-9 | 2-Oxaspiro[4.5]decan-4-ol, 3-(iodomethyl)-, trans- (9CI)

CAS No: 100590-18-9 Catalog No: AG0002EC MDL No:

Product Description

Catalog Number:
AG0002EC
Chemical Name:
2-Oxaspiro[4.5]decan-4-ol, 3-(iodomethyl)-, trans- (9CI)
CAS Number:
100590-18-9
Molecular Formula:
C10H17IO2
Molecular Weight:
296.1452
IUPAC Name:
3-(iodomethyl)-2-oxaspiro[4.5]decan-4-ol
InChI:
InChI=1S/C10H17IO2/c11-6-8-9(12)10(7-13-8)4-2-1-3-5-10/h8-9,12H,1-7H2
InChI Key:
IZWVEXYSSXVDQW-UHFFFAOYSA-N
SMILES:
IC[C@@H]1OCC2([C@H]1O)CCCCC2

Properties

Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.027g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
296.148g/mol
Monoisotopic Mass:
296.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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