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211573-91-0 | 8-iodo-3,4-dihydro-2H-1-benzopyran
CAS No: 211573-91-0 Catalog No: AG01C20T MDL No:MFCD18450811
Product Description
Catalog Number:
AG01C20T
Chemical Name:
8-iodo-3,4-dihydro-2H-1-benzopyran
CAS Number:
211573-91-0
Molecular Formula:
C9H9IO
Molecular Weight:
260.0716
MDL Number:
MFCD18450811
IUPAC Name:
8-iodo-3,4-dihydro-2H-chromene
InChI:
InChI=1S/C9H9IO/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5H,2,4,6H2
InChI Key:
AVOXAFFKJFWNHA-UHFFFAOYSA-N
SMILES:
Ic1cccc2c1OCCC2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.97g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.074g/mol
Monoisotopic Mass:
259.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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