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2060020-03-1

2060020-03-1 | 4-(butan-2-yl)-2-(iodomethyl)oxolane

CAS No: 2060020-03-1 Catalog No: AG01BRE2 MDL No:MFCD30502495

Product Description

Catalog Number:
AG01BRE2
Chemical Name:
4-(butan-2-yl)-2-(iodomethyl)oxolane
CAS Number:
2060020-03-1
Molecular Formula:
C9H17IO
Molecular Weight:
268.1351
MDL Number:
MFCD30502495
IUPAC Name:
4-butan-2-yl-2-(iodomethyl)oxolane
InChI:
InChI=1S/C9H17IO/c1-3-7(2)8-4-9(5-10)11-6-8/h7-9H,3-6H2,1-2H3
InChI Key:
YWJZAFRYRGISRO-UHFFFAOYSA-N
SMILES:
CCC(C1COC(C1)CI)C

Properties

Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.032g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.138g/mol
Monoisotopic Mass:
268.032g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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