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186639-32-7 | 6-IodochroMan-4-ol
CAS No: 186639-32-7 Catalog No: AG00AD6J MDL No:MFCD21295261
Product Description
Catalog Number:
AG00AD6J
Chemical Name:
6-IodochroMan-4-ol
CAS Number:
186639-32-7
Molecular Formula:
C9H9IO2
Molecular Weight:
276.0710
MDL Number:
MFCD21295261
IUPAC Name:
6-iodo-3,4-dihydro-2H-chromen-4-ol
InChI:
InChI=1S/C9H9IO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2
InChI Key:
ANWPEHPJCBJNNI-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)C(O)CCO2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.073g/mol
Monoisotopic Mass:
275.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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