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13849-08-6 | 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (2S)-
CAS No: 13849-08-6 Catalog No: AG0019AC MDL No:MFCD01725701
Product Description
Catalog Number:
AG0019AC
Chemical Name:
7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (2S)-
CAS Number:
13849-08-6
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
MDL Number:
MFCD01725701
IUPAC Name:
(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
InChI:
InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1
InChI Key:
FWYSBEAFFPBAQU-LBPRGKRZSA-N
SMILES:
O=c1ccc2c(o1)cc1c(c2)C[C@H](O1)C(O)(C)C
UNII:
H5D33D6K5D
NSC Number:
340840
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.262g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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