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85657-30-3 | 2H-1-Benzopyran-2-one, 7-hydroxy-8-iodo-5-[(3-methyl-2-butenyl)oxy]-
CAS No: 85657-30-3 Catalog No: AG004TGZ MDL No:
Product Description
Catalog Number:
AG004TGZ
Chemical Name:
2H-1-Benzopyran-2-one, 7-hydroxy-8-iodo-5-[(3-methyl-2-butenyl)oxy]-
CAS Number:
85657-30-3
Molecular Formula:
C14H13IO4
Molecular Weight:
372.1551
IUPAC Name:
7-hydroxy-8-iodo-5-(3-methylbut-2-enoxy)chromen-2-one
InChI:
InChI=1S/C14H13IO4/c1-8(2)5-6-18-11-7-10(16)13(15)14-9(11)3-4-12(17)19-14/h3-5,7,16H,6H2,1-2H3
InChI Key:
ADFFMKWKGACATA-UHFFFAOYSA-N
SMILES:
CC(=CCOc1cc(O)c(c2c1ccc(=O)o2)I)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.986g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.158g/mol
Monoisotopic Mass:
371.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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