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13895-92-6 | 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-9-hydroxy-2-(1-hydroxy-1-methylethyl)-, (2S)-
CAS No: 13895-92-6 Catalog No: AG0019WZ MDL No:
Product Description
Catalog Number:
AG0019WZ
Chemical Name:
7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-9-hydroxy-2-(1-hydroxy-1-methylethyl)-, (2S)-
CAS Number:
13895-92-6
Molecular Formula:
C14H14O5
Molecular Weight:
262.2580
IUPAC Name:
(2S)-9-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
InChI:
InChI=1S/C14H14O5/c1-14(2,17)9-6-8-5-7-3-4-10(15)19-12(7)11(16)13(8)18-9/h3-5,9,16-17H,6H2,1-2H3/t9-/m0/s1
InChI Key:
FVFQELHSZVFPDZ-VIFPVBQESA-N
SMILES:
O=c1ccc2c(o1)c(O)c1c(c2)C[C@H](O1)C(O)(C)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
262.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.261g/mol
Monoisotopic Mass:
262.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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