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91712-74-2 | 1-Pentanol, 5-iodo-, formate
CAS No: 91712-74-2 Catalog No: AG006E4J MDL No:
Product Description
Catalog Number:
AG006E4J
Chemical Name:
1-Pentanol, 5-iodo-, formate
CAS Number:
91712-74-2
Molecular Formula:
C6H13IO3
Molecular Weight:
260.0701
IUPAC Name:
formic acid;5-iodopentan-1-ol
InChI:
InChI=1S/C5H11IO.CH2O2/c6-4-2-1-3-5-7;2-1-3/h7H,1-5H2;1H,(H,2,3)
InChI Key:
ZBUXNXWMYJWZNS-UHFFFAOYSA-N
SMILES:
OCCCCCI.OC=O
Properties
Complexity:
41.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.991g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.071g/mol
Monoisotopic Mass:
259.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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