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39178-64-8 | trans-1-Iodo-1-octen-3-one
CAS No: 39178-64-8 Catalog No: AG00CNGD MDL No:
Product Description
Catalog Number:
AG00CNGD
Chemical Name:
trans-1-Iodo-1-octen-3-one
CAS Number:
39178-64-8
IUPAC Name:
(E)-1-iodooct-1-en-3-one
InChI:
InChI=1S/C8H13IO/c1-2-3-4-5-8(10)6-7-9/h6-7H,2-5H2,1H3/b7-6+
InChI Key:
LRJFQILVAYLBBP-VOTSOKGWSA-N
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
252.001g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.095g/mol
Monoisotopic Mass:
252.001g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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