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681016-83-1 | 4H-1-Benzopyran-4-one, 3-amino-5,7-dihydroxy-2-(4-hydroxyphenyl)-
CAS No: 681016-83-1 Catalog No: AG006FZC MDL No:
Product Description
Catalog Number:
AG006FZC
Chemical Name:
4H-1-Benzopyran-4-one, 3-amino-5,7-dihydroxy-2-(4-hydroxyphenyl)-
CAS Number:
681016-83-1
Molecular Formula:
C15H11NO5
Molecular Weight:
285.2515
IUPAC Name:
3-amino-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
InChI:
InChI=1S/C15H11NO5/c16-13-14(20)12-10(19)5-9(18)6-11(12)21-15(13)7-1-3-8(17)4-2-7/h1-6,17-19H,16H2
InChI Key:
ZKFDJKGUTIWGRG-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1N)O
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
285.255g/mol
Monoisotopic Mass:
285.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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