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119712-55-9 | 6H-Furo[2,3-c]xanthen-6-one, 2-(1-hydroxy-1-methylethyl)-
CAS No: 119712-55-9 Catalog No: AG000PID MDL No:
Product Description
Catalog Number:
AG000PID
Chemical Name:
6H-Furo[2,3-c]xanthen-6-one, 2-(1-hydroxy-1-methylethyl)-
CAS Number:
119712-55-9
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
2-(2-hydroxypropan-2-yl)furo[2,3-c]xanthen-6-one
InChI:
InChI=1S/C18H14O4/c1-18(2,20)15-9-12-14(21-15)8-7-11-16(19)10-5-3-4-6-13(10)22-17(11)12/h3-9,20H,1-2H3
InChI Key:
RRJIPAVOESXYKJ-UHFFFAOYSA-N
SMILES:
O=c1c2ccc3c(c2oc2c1cccc2)cc(o3)C(O)(C)C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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