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88558-52-5

88558-52-5 | 2-Butanol, 3-[(3-iodo-2-propynyl)oxy]-

CAS No: 88558-52-5 Catalog No: AG004E3A MDL No:

Product Description

Catalog Number:
AG004E3A
Chemical Name:
2-Butanol, 3-[(3-iodo-2-propynyl)oxy]-
CAS Number:
88558-52-5
Molecular Formula:
C7H11IO2
Molecular Weight:
254.0655
IUPAC Name:
3-(3-iodoprop-2-ynoxy)butan-2-ol
InChI:
InChI=1S/C7H11IO2/c1-6(9)7(2)10-5-3-4-8/h6-7,9H,5H2,1-2H3
InChI Key:
JQVSKKFGIVTTIY-UHFFFAOYSA-N
SMILES:
CC(C(O)C)OCC#CI

Properties

Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.98g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.067g/mol
Monoisotopic Mass:
253.98g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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