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1222-48-6 | 1-Benzopyrylium, 7-hydroxy-2-(4-methoxyphenyl)-, chloride (1:1)
CAS No: 1222-48-6 Catalog No: AG0016XJ MDL No:
Product Description
Catalog Number:
AG0016XJ
Chemical Name:
1-Benzopyrylium, 7-hydroxy-2-(4-methoxyphenyl)-, chloride (1:1)
CAS Number:
1222-48-6
Molecular Formula:
C16H13ClO3
Molecular Weight:
288.7256
IUPAC Name:
2-(4-methoxyphenyl)-7H-chromen-7-ol
InChI:
InChI=1S/C16H14O3/c1-18-14-7-3-11(4-8-14)15-9-5-12-2-6-13(17)10-16(12)19-15/h2-10,13,17H,1H3
InChI Key:
RANLGXIAZIVKFR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ccc2c([o+]1)cc(cc2)O.[Cl-]
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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