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116485-31-5 | 2H-Pyran, 3,6-dihydro-4-(6-iodo-1,3,5-hexatriyn-1-yl)-2,2-dimethyl-
CAS No: 116485-31-5 Catalog No: AG000CM5 MDL No:
Product Description
Catalog Number:
AG000CM5
Chemical Name:
2H-Pyran, 3,6-dihydro-4-(6-iodo-1,3,5-hexatriyn-1-yl)-2,2-dimethyl-
CAS Number:
116485-31-5
Molecular Formula:
C13H11IO
Molecular Weight:
310.1303
IUPAC Name:
4-(6-iodohexa-1,3,5-triynyl)-6,6-dimethyl-2,5-dihydropyran
InChI:
InChI=1S/C13H11IO/c1-13(2)11-12(8-10-15-13)7-5-3-4-6-9-14/h8H,10-11H2,1-2H3
InChI Key:
HGRMAEGHWDYLRS-UHFFFAOYSA-N
SMILES:
IC#CC#CC#CC1=CCOC(C1)(C)C
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.134g/mol
Monoisotopic Mass:
309.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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