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87462-66-6 | 1-Heptyne, 7-iodo-
CAS No: 87462-66-6 Catalog No: AG004KBG MDL No:
Product Description
Catalog Number:
AG004KBG
Chemical Name:
1-Heptyne, 7-iodo-
CAS Number:
87462-66-6
Molecular Formula:
C7H11I
Molecular Weight:
222.0667
IUPAC Name:
7-iodohept-1-yne
InChI:
InChI=1S/C7H11I/c1-2-3-4-5-6-7-8/h1H,3-7H2
InChI Key:
LKGBKWVJDUMCNZ-UHFFFAOYSA-N
SMILES:
ICCCCCC#C
Properties
Complexity:
77.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.991g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.069g/mol
Monoisotopic Mass:
221.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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