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74794-29-9 | 2H-1-Benzopyran-2-one, 7-hydroxy-8-iodo-5-methoxy-
CAS No: 74794-29-9 Catalog No: AG005T6T MDL No:
Product Description
Catalog Number:
AG005T6T
Chemical Name:
2H-1-Benzopyran-2-one, 7-hydroxy-8-iodo-5-methoxy-
CAS Number:
74794-29-9
Molecular Formula:
C10H7IO4
Molecular Weight:
318.0647
IUPAC Name:
7-hydroxy-8-iodo-5-methoxychromen-2-one
InChI:
InChI=1S/C10H7IO4/c1-14-7-4-6(12)9(11)10-5(7)2-3-8(13)15-10/h2-4,12H,1H3
InChI Key:
VIIRTVVOWWELND-UHFFFAOYSA-N
SMILES:
COc1cc(O)c(c2c1ccc(=O)o2)I
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.939g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.066g/mol
Monoisotopic Mass:
317.939g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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