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67856-45-5 | 2H-1-Benzopyran, 3,4-dihydro-6-iodo-
CAS No: 67856-45-5 Catalog No: AG00FH5Q MDL No:MFCD16037277
Product Description
Catalog Number:
AG00FH5Q
Chemical Name:
2H-1-Benzopyran, 3,4-dihydro-6-iodo-
CAS Number:
67856-45-5
Molecular Formula:
C9H9IO
Molecular Weight:
260.0716
MDL Number:
MFCD16037277
IUPAC Name:
6-iodo-3,4-dihydro-2H-chromene
InChI:
InChI=1S/C9H9IO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2
InChI Key:
LOHYOLMVKQWFIK-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)CCCO2
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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