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14685-06-4 | 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(2R)-2-hydroxy-3-methylbutoxy]-
CAS No: 14685-06-4 Catalog No: AG001EE2 MDL No:
Product Description
Catalog Number:
AG001EE2
Chemical Name:
7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(2R)-2-hydroxy-3-methylbutoxy]-
CAS Number:
14685-06-4
Molecular Formula:
C16H16O5
Molecular Weight:
288.2952
IUPAC Name:
4-[(2R)-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
InChI:
InChI=1S/C16H16O5/c1-9(2)12(17)8-20-16-10-3-4-15(18)21-14(10)7-13-11(16)5-6-19-13/h3-7,9,12,17H,8H2,1-2H3/t12-/m0/s1
InChI Key:
JZRGHDSNRVNBNT-LBPRGKRZSA-N
SMILES:
O=c1ccc2c(o1)cc1c(c2OC[C@@H](C(C)C)O)cco1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
288.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.299g/mol
Monoisotopic Mass:
288.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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