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88543-71-9 | 4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-6-(phosphonooxy)-
CAS No: 88543-71-9 Catalog No: AG004CQP MDL No:
Product Description
Catalog Number:
AG004CQP
Chemical Name:
4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-6-(phosphonooxy)-
CAS Number:
88543-71-9
Molecular Formula:
C16H13O7P
Molecular Weight:
348.2440
IUPAC Name:
[2-(4-methoxyphenyl)-4-oxochromen-6-yl] dihydrogen phosphate
InChI:
InChI=1S/C16H13O7P/c1-21-11-4-2-10(3-5-11)16-9-14(17)13-8-12(23-24(18,19)20)6-7-15(13)22-16/h2-9H,1H3,(H2,18,19,20)
InChI Key:
ONBQOJHYLUOJPT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(=O)c2c(o1)ccc(c2)OP(=O)(O)O
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.04g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.247g/mol
Monoisotopic Mass:
348.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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