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800391-58-6 | 4H-1-Benzopyran-4-one, 3-amino-2-(4-hydroxyphenyl)-
CAS No: 800391-58-6 Catalog No: AG005DIJ MDL No:
Product Description
Catalog Number:
AG005DIJ
Chemical Name:
4H-1-Benzopyran-4-one, 3-amino-2-(4-hydroxyphenyl)-
CAS Number:
800391-58-6
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
IUPAC Name:
3-amino-2-(4-hydroxyphenyl)chromen-4-one
InChI:
InChI=1S/C15H11NO3/c16-13-14(18)11-3-1-2-4-12(11)19-15(13)9-5-7-10(17)8-6-9/h1-8,17H,16H2
InChI Key:
ZDCRYGPHKZVTTC-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1oc2ccccc2c(=O)c1N
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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