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921825-44-7 | 3-Butyn-2-ol, 4,4'-(5-iodo-1,3-phenylene)bis[2-methyl-
CAS No: 921825-44-7 Catalog No: AG00631M MDL No:
Product Description
Catalog Number:
AG00631M
Chemical Name:
3-Butyn-2-ol, 4,4'-(5-iodo-1,3-phenylene)bis[2-methyl-
CAS Number:
921825-44-7
Molecular Formula:
C16H17IO2
Molecular Weight:
368.2094
IUPAC Name:
4-[3-(3-hydroxy-3-methylbut-1-ynyl)-5-iodophenyl]-2-methylbut-3-yn-2-ol
InChI:
InChI=1S/C16H17IO2/c1-15(2,18)7-5-12-9-13(11-14(17)10-12)6-8-16(3,4)19/h9-11,18-19H,1-4H3
InChI Key:
OGRKURKUDVZICW-UHFFFAOYSA-N
SMILES:
Ic1cc(C#CC(O)(C)C)cc(c1)C#CC(O)(C)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.027g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
368.214g/mol
Monoisotopic Mass:
368.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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